Molecule

ID:108231

General Information
Structure
MolImage
Molecular Formula
C₆H₇AsO₄
Molecular Mass
218.03898
Exact Mass
217.9560297
Charge
0
InChI
InChI=1S/C6H7AsO4/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4,8H,(H2,9,10,11)
InChIKey
RSRFURJMCNJVOW-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(cc1)[As](=O)(O)O
Isomeric Smiles
Oc1ccc(cc1)[As](=O)(O)O
Calculated Properties
JChem
Acid pKa
3.6341486
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-1.0818051
LogD (pH = 7.4)
-1.6225027
Log P
0.644
Molar Refractivity
34.0273
Polarizability
16.563955
Polar Surface Area
77.76
Rotatable Bonds
1
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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