Calcium hydrogen arsorite

CAS Number: 1333-24-0
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[O-][As]([O-])O.[Ca+2]
Molecule Information
Mutagenic: none Tumorigenic: low Irritant: high
Formula
HO3As.Ca
Molecular Weight
123.927
Drug-likeness
-1.8942
CAS
1333-24-0
InChI key
LGBCMHYFFJVCFY-UHFFFAOYSA-N
SMILES
[O-][As]([O-])O.[Ca+2]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
low
Handling Watch
Irritant: high | Reproductive effective: low
PropertyValue
CAS Number 1333-24-0
Molecule Name Calcium hydrogen arsorite
Molecular Formula HO3As.Ca
SMILES [O-][As]([O-])O.[Ca+2]
InChI InChI=1S/AsHO3.Ca/c2-1(3)4;/h2H;/q-2;+2
InChI Key LGBCMHYFFJVCFY-UHFFFAOYSA-N
CanonicalSyTyLFy f893132a69520a60
TotalMolweight 164.005
Molecular Weight 123.927
MonoisotopicMass 123.914164
CLogS 3.28
H Acceptors 3
H Donors 1
TotalSurfaceArea 41.66
Relative PSA 1
PolarSurfaceArea 66.35
Drug-likeness -1.8942
Mutagenic none
Tumorigenic low
Reproductive Effective low
Irritant high
Nasty Functions unwanted atom
Shape Index 0.75
Fragments 2
Non HAtoms 4
NonCHAtoms 4
Electronegative Atoms 4
Sp3Atoms 3
Symmetricatoms 1

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