769
  Mrv0541 02231218362D          

  4  3  0  0  0  0            999 V2000
    3.0790    0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.6188    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  4  1  0  0  0  0
  3  4  2  0  0  0  0
M  CHG  1   2  -1
M  END
> <DATABASE_ID>
M2MDB000153

> <DATABASE_NAME>
M2MDB

> <SMILES>
OC([O-])=O

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

> <INCHI_KEY>
BVKZGUZCCUSVTD-UHFFFAOYSA-M

> <FORMULA>
CHO3

> <MOLECULAR_WEIGHT>
61.0168

> <EXACT_MASS>
60.992568898

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
3.8614967558834117

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
-1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
hydrogen carbonate

> <ALOGPS_LOGP>
-0.20

> <JCHEM_LOGP>
0.25005136566666664

> <ALOGPS_LOGS>
0.97

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
10.638414228618219

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.052541895520343

> <JCHEM_POLAR_SURFACE_AREA>
60.36

> <JCHEM_REFRACTIVITY>
20.335300000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.32e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
bicarbonate

> <JCHEM_VEBER_RULE>
0

$$$$
