Molecule

ID:83025

General Information
Structure
Molecular Formula
C₁₉H₁₇O₂P
Molecular Mass
308.310841
Exact Mass
308.09661641
Charge
0
InChI
InChI=1S/C19H17O2P/c20-19(16-10-4-1-5-11-16)22(21,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19-20H
InChIKey
RDTVIFVLMGZCHL-UHFFFAOYSA-N
Canonic Smiles
OC(P(=O)(c1ccccc1)c1ccccc1)c1ccccc1
Isomeric Smiles
P(=O)(c1ccccc1)(c1ccccc1)C(c1ccccc1)O
Calculated Properties
JChem
Acid pKa
12.730245
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.4628
LogD (pH = 7.4)
4.462798
Log P
4.4628
Molar Refractivity
89.0241
Polarizability
35.408257
Polar Surface Area
37.3
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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