 
  Mrv0541 02231219392D          
 
  2  1  0  0  0  0            999 V2000
   17.4487   -8.4975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2737   -8.4975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
M  END
> <DATABASE_ID>
M2MDB001640

> <DATABASE_NAME>
M2MDB

> <SMILES>
OO

> <INCHI_IDENTIFIER>
InChI=1S/H2O2/c1-2/h1-2H

> <INCHI_KEY>
MHAJPDPJQMAIIY-UHFFFAOYSA-N

> <FORMULA>
H2O2

> <MOLECULAR_WEIGHT>
34.0147

> <EXACT_MASS>
34.005479308

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
2.2910556974533414

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
peroxol

> <JCHEM_LOGP>
-0.447202414

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.397218846455527

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.520607090216412

> <JCHEM_PKA_STRONGEST_BASIC>
-4.189015938635916

> <JCHEM_POLAR_SURFACE_AREA>
40.46

> <JCHEM_REFRACTIVITY>
5.1292

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
hydrogen peroxide

> <JCHEM_VEBER_RULE>
0

$$$$
