Potassium hydrogen arsorate--water (2/1/2)

CAS Number: 308103-48-2
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[O-][As]([O-])(O)=O.O.O.[K+].[K+]
Molecule Information
Mutagenic: low Tumorigenic: low Irritant: high
Formula
HO4As.K.K.H2O.H2O
Molecular Weight
139.926
Drug-likeness
-1.8942
CAS
308103-48-2
InChI key
GZQGXXZBWQAHKS-UHFFFAOYSA-L
SMILES
[O-][As]([O-])(O)=O.O.O.[K+].[K+]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
low
Tumorigenic
low
Handling Watch
Irritant: high | Reproductive effective: high
PropertyValue
CAS Number 308103-48-2
Molecule Name Potassium hydrogen arsorate--water (2/1/2)
Molecular Formula HO4As.K.K.H2O.H2O
SMILES [O-][As]([O-])(O)=O.O.O.[K+].[K+]
InChI InChI=1S/AsH3O4.2K.2H2O/c2-1(3,4)5;;;;/h(H3,2,3,4,5);;;2*1H2/q;2*+1;;/p-2
InChI Key GZQGXXZBWQAHKS-UHFFFAOYSA-L
CanonicalSyTyLFy e1c06feee9997a5
TotalMolweight 254.152
Molecular Weight 139.926
MonoisotopicMass 139.909079
CLogP 0.3317
CLogS 3.28
H Acceptors 4
H Donors 1
TotalSurfaceArea 54.7
Relative PSA 1
PolarSurfaceArea 83.42
Drug-likeness -1.8942
Mutagenic low
Tumorigenic low
Reproductive Effective high
Irritant high
Nasty Functions unwanted atom
Shape Index 0.6
Molecular Complexity 0.69315
Fragments 5
Non HAtoms 5
NonCHAtoms 5
Electronegative Atoms 5
Sp3Atoms 3
Symmetricatoms 1

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