Molecule
ID:110599
General Information
Molecular Formula
C₁₃H₈AsO₂
Molecular Mass
271.12302
Exact Mass
270.9740255
Charge
0
InChI
InChI=1S/C13H8AsO2/c15-13(16)9-5-3-7-11-12(9)8-4-1-2-6-10(8)14-11/h1-7H,(H,15,16)
InChIKey
MKEFTTQCJGUERJ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cccc2c1c1ccccc1[As]2
Isomeric Smiles
OC(=O)c1cccc2c1c1ccccc1[As]2
Calculated Properties
JChem
Acid pKa
3.62246
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2316154
LogD (pH = 7.4)
-0.3175367
Log P
3.1081
Molar Refractivity
57.283
Polarizability
26.318476
Polar Surface Area
37.3
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
Loading...
References
Loading...
Bioactivity
Loading...