Molecule

ID:108253

General Information
Structure
MolImage
Molecular Formula
C₄H₁₂As₂CaO₄
Molecular Mass
314.05688
Exact Mass
313.87934184
Charge
0
InChI
InChI=1S/2C2H7AsO2.Ca/c2*1-3(2,4)5;/h2*1-2H3,(H,4,5);/q;;+2/p-2
InChIKey
PUHDXXBRQTYHRJ-UHFFFAOYSA-L
Canonic Smiles
[O-][As](=O)(C)C.[O-][As](=O)(C)C.[Ca+2]
Isomeric Smiles
[Ca+2].C[As](=O)(C)[O-].C[As](=O)(C)[O-]
Calculated Properties
JChem
Acid pKa
6.222334
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.40412536
LogD (pH = 7.4)
-1.5005654
Log P
-0.3292
Molar Refractivity
14.7772
Polarizability
9.505158
Polar Surface Area
40.13
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
No Data Available
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Molecule Details
References
Bioactivity
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