Molecule

ID:109083

General Information
Structure
MolImage
Molecular Formula
As₂Ca₃O₈
Molecular Mass
398.0724
Exact Mass
397.6902819
Charge
0
InChI
InChI=1S/2AsH3O4.3Ca/c2*2-1(3,4)5;;;/h2*(H3,2,3,4,5);;;/q;;3*+2/p-6
InChIKey
RMBBSOLAGVEUSI-UHFFFAOYSA-H
Canonic Smiles
[O-][As](=O)([O-])[O-].[O-][As](=O)([O-])[O-].[Ca+2].[Ca+2].[Ca+2]
Isomeric Smiles
[Ca+2].[Ca+2].[Ca+2].[O-][As](=O)([O-])[O-].[O-][As](=O)([O-])[O-]
Calculated Properties
JChem
Acid pKa
3.1531765
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-3.27436
LogD (pH = 7.4)
-4.5524263
Log P
-1.21
Molar Refractivity
5.7716
Polarizability
7.079688
Polar Surface Area
86.25
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
Molecule Details
References
Bioactivity
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