Molecule

ID:83018

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁O₂P
Molecular Mass
218.188301
Exact Mass
218.04966622
Charge
0
InChI
InChI=1S/C12H11O2P/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,13,14)
InChIKey
BEQVQKJCLJBTKZ-UHFFFAOYSA-N
Canonic Smiles
OP(=O)(c1ccccc1)c1ccccc1
Isomeric Smiles
P(=O)(c1ccccc1)(c1ccccc1)O
Calculated Properties
JChem
LogD (pH = 7.4)
0.35
LogD (pH = 5.5)
0.45
Log P
2.62
Rotatable Bonds
2
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
2.66
Polar Surface Area
37.30
Polarizability
21.28
Molar Refractivity
60.16
LOG S
-1.97
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation