Mrv1718007111818042D          

 10  7  0  0  0  0            999 V2000
    0.3572    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861    0.2062    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.0717    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7861   -0.2062    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.5006    0.6187    0.0000 Li  0  3  0  0  0  0  0  0  0  0  0  0
   -2.5006   -0.6187    0.0000 Li  0  3  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6  3  1  0  0  0  0
  7  4  2  0  0  0  0
  8  4  1  0  0  0  0
M  CHG  4   6  -1   8  -1   9   1  10   1
M  END
> <DATABASE_ID>
DB14508

> <DATABASE_NAME>
drugbank

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

> <INCHI_IDENTIFIER>
InChI=1S/C4H6O4.2Li/c5-3(6)1-2-4(7)8;;/h1-2H2,(H,5,6)(H,7,8);;/q;2*+1/p-2

> <INCHI_KEY>
WAHQBNXSPALNEA-UHFFFAOYSA-L

> <FORMULA>
C4H4Li2O4

> <MOLECULAR_WEIGHT>
129.95

> <EXACT_MASS>
130.04296549

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
14

> <JCHEM_AVERAGE_POLARIZABILITY>
9.327695991588044

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dilithium(1+) butanedioate

> <ALOGPS_LOGP>
-0.09

> <JCHEM_LOGP>
-0.3984829673333332

> <ALOGPS_LOGS>
0.54

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
5.6869121792916

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.5541665109763474

> <JCHEM_POLAR_SURFACE_AREA>
80.25999999999999

> <JCHEM_REFRACTIVITY>
45.211200000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.48e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
lithium succinate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB14508

> <SECONDARY_ACCESSION_NUMBERS>
DBSALT002479

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Lithium succinate

> <SYNONYMS>
Butanedioic acid, dilithium salt; Dilithium succinate; Lithium succinate dibasic; Lithium succinate, dibasic; Succinic acid dilithium salt; Succinic acid, dilithium salt

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