Mrv0541 07101212332D          
 
  5  4  0  0  0  0            999 V2000
   17.4608  -11.5033    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   16.5121  -11.4966    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
   15.6871  -11.4898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5095  -12.3215    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   16.5146  -10.6716    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
M  CHG  3   1  -1   4  -1   5  -1
M  END
> <DATABASE_ID>
M2MDB006050

> <DATABASE_NAME>
M2MDB

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

> <INCHI_IDENTIFIER>
InChI=1S/AsH3O4/c2-1(3,4)5/h(H3,2,3,4,5)/p-3

> <INCHI_KEY>
DJHGAFSJWGLOIV-UHFFFAOYSA-K

> <FORMULA>
AsO4

> <MOLECULAR_WEIGHT>
138.9192

> <EXACT_MASS>
138.901254905

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
6.2981900721322575

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
-3

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
arsorate

> <JCHEM_LOGP>
-1.2099999999999995

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.32499391224467

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.153176570985763

> <JCHEM_POLAR_SURFACE_AREA>
86.25

> <JCHEM_REFRACTIVITY>
5.7716

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
arsenate

> <JCHEM_VEBER_RULE>
0

> <MET_ID>
ECMDB23941

> <GENERIC_NAME>
Arsenate ion

$$$$