Mrv1652309272007312D          

 26 25  0  0  0  0            999 V2000
 9995.7995 9998.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.5143 9998.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.2293 9998.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.9441 9998.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.6590 9998.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.3746 9998.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.0882 9998.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.8039 9998.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.5175 9998.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.2332 9998.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.9488 9998.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.6624 9998.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.3781 9998.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10005.0958 9998.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10005.8094 9998.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10006.5250 9998.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10007.2386 9998.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.0846 9998.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.3698 9998.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9993.6548 9998.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9992.9399 9998.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9992.2231 9998.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9991.5082 9998.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9990.7934 9998.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9990.0784 9998.0698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9990.7934 9999.3071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
M  END
> <DATABASE_ID>
YMDB00684

> <DATABASE_NAME>
YMDB

> <SMILES>
CCCCCCCCCCCCCCCCCCCCCCCC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C24H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h2-23H2,1H3,(H,25,26)

> <INCHI_KEY>
QZZGJDVWLFXDLK-UHFFFAOYSA-N

> <FORMULA>
C24H48O2

> <MOLECULAR_WEIGHT>
368.6367

> <EXACT_MASS>
368.36543078

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
74

> <JCHEM_AVERAGE_POLARIZABILITY>
51.573403392089986

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
tetracosanoic acid

> <ALOGPS_LOGP>
9.56

> <JCHEM_LOGP>
9.813132097666667

> <ALOGPS_LOGS>
-7.21

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.952019655228562

> <JCHEM_POLAR_SURFACE_AREA>
37.3

> <JCHEM_REFRACTIVITY>
113.89159999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
22

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.27e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
lignoceric acid

> <JCHEM_VEBER_RULE>
0

> <YMDB_ID>
YMDB00684

> <GENERIC_NAME>
lignoceric acid

> <SYNONYMS>
Lignocerat; Lignocerate; Lignoceric acid; Lignozerinsaeure; n-Tetracosanoate; n-Tetracosanoic acid; tetracosanate; tetracosanic acid; Tetracosanoat; Tetracosanoate; tetracosanoic acid; Tetracosansaeure; tetracosoate; tetracosoic acid; tetraeicosanoate; tetraeicosanoic acid; tetraicosanoic acid

$$$$