Mrv0541 02241217242D          

  6  3  0  0  0  0            999 V2000
   -0.9484    0.2471    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.9484    1.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2884    1.4847    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.6909    1.4847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7834   -1.4847    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    1.6909   -1.4847    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
M  CHG  4   1  -1   3  -1   5   1   6   1
M  END
> <DATABASE_ID>
DB09460

> <DATABASE_NAME>
drugbank

> <SMILES>
[Na+].[Na+].[O-]C([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/CH2O3.2Na/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2

> <INCHI_KEY>
CDBYLPFSWZWCQE-UHFFFAOYSA-L

> <FORMULA>
CNa2O3

> <MOLECULAR_WEIGHT>
105.9884

> <EXACT_MASS>
105.964283216

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
6

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-1.0006337308913795

> <JCHEM_AVERAGE_POLARIZABILITY>
3.515525686064488

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
disodium carbonate

> <ALOGPS_LOGP>
-0.34

> <JCHEM_LOGP>
0.25005136566666664

> <ALOGPS_LOGS>
0.76

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
-1

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
10.32259950554

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.501076428435099

> <JCHEM_POLAR_SURFACE_AREA>
63.19

> <JCHEM_REFRACTIVITY>
31.172400000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.07e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
biotin

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB09460

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Sodium carbonate

> <SYNONYMS>
Anhydrous sodium carbonate; Carbonic acid sodium salt (1:2); Carbonic acid, disodium salt; Disodium carbonate; Natriumkarbonat; Natrum carbonicum; Soda ash; Soda-ash; Sodium carbonate (anhydrous); Sodium carbonate anhydrous; Sodium carbonate, anhydrous; Sodium salt of carbonic acid

> <PRODUCTS>
Carbicarb Injection; Sel De Perou; Sels Mexicain; Urologic G for Irrigation; Urologic Solution G

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