Molecule

ID:112642

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃AsO₃
Molecular Mass
244.11932
Exact Mass
244.00806528
Charge
0
InChI
InChI=1S/C9H13AsO3/c1-10(2,11)13-9-7-5-4-6-8(9)12-3/h4-7H,1-3H3
InChIKey
ZSHYQCDUUBZWFA-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1O[As](=O)(C)C
Isomeric Smiles
COc1ccccc1O[As](=O)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8277
LogD (pH = 7.4)
1.8277
Log P
1.8277
Molar Refractivity
46.622
Polarizability
21.719852
Polar Surface Area
35.53
Rotatable Bonds
3
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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