Molecule

ID:125943

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁AsO₂
Molecular Mass
178.06124
Exact Mass
177.99750059
Charge
0
InChI
InChI=1S/C5H11AsO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3
InChIKey
SPTHHTGLGVZZRH-UHFFFAOYSA-N
Canonic Smiles
[O-]C(=O)C[As+](C)(C)C
Isomeric Smiles
C[As+](C)(C)CC(=O)[O-]
Calculated Properties
JChem
Acid pKa
2.8996134
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.6255232
LogD (pH = 7.4)
-2.6784253
Log P
0.9413
Molar Refractivity
39.2657
Polarizability
14.728087
Polar Surface Area
40.13
Rotatable Bonds
2
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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