Molecule
ID:80798
General Information
Molecular Formula
C₁₉H₁₆ClO₂P
Molecular Mass
342.755901
Exact Mass
342.05764406
Charge
0
InChI
InChI=1S/C19H16ClO2P/c20-16-9-7-8-15(14-16)19(21)23(22,17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-14,19,21H
InChIKey
DMKSPLXGFHSMCF-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)C(P(=O)(c1ccccc1)c1ccccc1)O
Isomeric Smiles
P(=O)(c1ccccc1)(c1ccccc1)C(c1cc(ccc1)Cl)O
Calculated Properties
JChem
Acid pKa
12.661601
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.9808
LogD (pH = 7.4)
4.980798
Log P
4.9808
Molar Refractivity
93.8289
Polarizability
37.24415
Polar Surface Area
37.3
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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