Molecule
ID:74854
General Information
Molecular Formula
C₂₁H₁₈ClOP
Molecular Mass
352.793781
Exact Mass
352.07837951
Charge
0
InChI
InChI=1S/C21H18ClOP/c22-16-18(23)17-24(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,17H,16H2
InChIKey
NYAMPFDYTBDISG-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
Isomeric Smiles
P(=CC(=O)CCl)(c1ccccc1)(c1ccccc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
16.513697
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.3022
LogD (pH = 7.4)
6.3022
Log P
6.3022
Molar Refractivity
101.9843
Polarizability
39.88054
Polar Surface Area
17.07
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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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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