Mrv1652312081619462D          

 15 15  0  0  1  0            999 V2000
   -0.1477   -0.9323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6773   -0.9323    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6773   -0.1073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1477   -0.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7310    0.4761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4620    0.1477    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9469   -0.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7719   -0.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1844   -1.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0094   -1.2343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4620   -1.1872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7169    0.9323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1649    1.5454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5239    1.1038    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.3308    1.2753    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  6  0  0  0
  3  4  1  0  0  0  0
  1  4  1  0  0  0  0
  4  5  2  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  7 11  1  0  0  0  0
  2 11  1  0  0  0  0
  6 12  1  1  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  CHG  2  14  -1  15   1
M  END
> <DATABASE_ID>
DBSALT001302

> <DATABASE_NAME>
drugbank

> <SMILES>
[K+].OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/C8H9NO5.K/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4;/h1,6-7,10H,2-3H2,(H,12,13);/q;+1/p-1/b4-1-;/t6-,7-;/m1./s1

> <INCHI_KEY>
ABVRVIZBZKUTMK-JSYANWSFSA-M

> <FORMULA>
C8H8KNO5

> <MOLECULAR_WEIGHT>
237.252

> <EXACT_MASS>
237.00395385

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
23

> <JCHEM_AVERAGE_POLARIZABILITY>
17.88886172028503

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
potassium (2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate

> <ALOGPS_LOGP>
-0.74

> <JCHEM_LOGP>
-1.521207563

> <ALOGPS_LOGS>
0.27

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
15.522017294386345

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.3169081461310097

> <JCHEM_PKA_STRONGEST_BASIC>
-2.572438391835412

> <JCHEM_POLAR_SURFACE_AREA>
89.9

> <JCHEM_REFRACTIVITY>
55.08960000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.43e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
potassium clavulanic acid anion

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT001302

> <NAME>
Clavulanate potassium

> <DRUG_DRUGBANK_ID>
DB00766

> <DRUG_NAME>
Clavulanic acid

> <CAS_NUMBER>
61177-45-5

> <UNII>
Q42OMW3AT8

$$$$