
  Mrv0541 02231219452D          

  4  3  0  0  0  0            999 V2000
   20.1367  -13.9802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9617  -13.9802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.7242  -13.2657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.7242  -14.6946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
M  END
> <DATABASE_ID>
M2MDB000510

> <DATABASE_NAME>
M2MDB

> <SMILES>
OC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)

> <INCHI_KEY>
BVKZGUZCCUSVTD-UHFFFAOYSA-N

> <FORMULA>
CH2O3

> <MOLECULAR_WEIGHT>
62.0248

> <EXACT_MASS>
62.00039393

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
4.230013396707897

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
carbonic acid

> <ALOGPS_LOGP>
0.60

> <JCHEM_LOGP>
0.25005136566666664

> <ALOGPS_LOGS>
0.57

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
10.638414228618222

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.052541895520343

> <JCHEM_POLAR_SURFACE_AREA>
57.53

> <JCHEM_REFRACTIVITY>
9.4982

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.31e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
carbonic acid

> <JCHEM_VEBER_RULE>
0

$$$$
