24823
  -OEChem-10051722473D

  3  2  0     0  0  0  0  0  0999 V2000
   -0.0950   -0.4943    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    1.1489    0.2152    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.0540    0.2791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
M  CHG  2   1   1   2  -1
M  END
> <DATABASE_ID>
DB12510

> <DATABASE_NAME>
drugbank

> <ORIGINAL_SOURCE>
PUBCHEM

> <ORIGINAL_SOURCE_URL>
https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/CBENFWSGALASAD-UHFFFAOYSA-N/SDF?record_type=3d

> <SMILES>
[O-][O+]=O

> <INCHI_IDENTIFIER>
InChI=1S/O3/c1-3-2

> <INCHI_KEY>
CBENFWSGALASAD-UHFFFAOYSA-N

> <FORMULA>
O3

> <MOLECULAR_WEIGHT>
47.997

> <EXACT_MASS>
47.98474386

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
2.3144810312075847

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2lambda4-trioxida-1,2-diene

> <JCHEM_LOGP>
-0.2111141423333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
-1.272081020746926

> <JCHEM_POLAR_SURFACE_AREA>
74.27000000000001

> <JCHEM_REFRACTIVITY>
4.236

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
2lambda4-trioxida-1,2-diene

> <JCHEM_VEBER_RULE>
0

$$$$