977
  Mrv1652309042000222D          

  2  1  0  0  0  0            999 V2000
    1.6500    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
M  END
> <DATABASE_ID>
YMDB00900

> <DATABASE_NAME>
YMDB

> <SMILES>
O=O

> <INCHI_IDENTIFIER>
InChI=1S/O2/c1-2

> <INCHI_KEY>
MYMOFIZGZYHOMD-UHFFFAOYSA-N

> <FORMULA>
O2

> <MOLECULAR_WEIGHT>
31.9988

> <EXACT_MASS>
31.989829244

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
1.528255145499405

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dioxygen

> <JCHEM_LOGP>
-0.27723172999999995

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
34.14

> <JCHEM_REFRACTIVITY>
2.8858

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
singlet oxygen

> <JCHEM_VEBER_RULE>
1

> <YMDB_ID>
YMDB00900

> <GENERIC_NAME>
oxygen

> <SYNONYMS>
dioxygen; dioxygene; Disauerstoff; molecular oxygen; O(2); O2; Oxygen; Oxygen molecule; Pure oxygen

$$$$