5359597
Mrv0541 02231219242D
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 5 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
M CHG 1 2 -1
M RAD 1 1 2
M END
> <DATABASE_ID>
HMDB0002168
> <DATABASE_NAME>
hmdb
> <SMILES>
[O][O-]
> <INCHI_IDENTIFIER>
InChI=1S/HO2/c1-2/h1H/p-1
> <INCHI_KEY>
OUUQCZGPVNCOIJ-UHFFFAOYSA-M
> <FORMULA>
O2
> <MOLECULAR_WEIGHT>
31.9988
> <EXACT_MASS>
31.989829244
> <JCHEM_ACCEPTOR_COUNT>
2
> <JCHEM_AVERAGE_POLARIZABILITY>
1.6723109476406521
> <JCHEM_BIOAVAILABILITY>
1
> <JCHEM_DONOR_COUNT>
0
> <JCHEM_FORMAL_CHARGE>
-1
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
oxidanidyloxidanyl
> <JCHEM_LOGP>
-0.3622170719999999
> <JCHEM_MDDR_LIKE_RULE>
0
> <JCHEM_NUMBER_OF_RINGS>
0
> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1
> <JCHEM_PKA_STRONGEST_ACIDIC>
5.802463079075391
> <JCHEM_PKA_STRONGEST_BASIC>
-6.821802649212423
> <JCHEM_POLAR_SURFACE_AREA>
23.06
> <JCHEM_REFRACTIVITY>
2.8858
> <JCHEM_ROTATABLE_BOND_COUNT>
0
> <JCHEM_RULE_OF_FIVE>
1
> <JCHEM_TRADITIONAL_IUPAC>
superoxide
> <JCHEM_VEBER_RULE>
1
$$$$