Molecule

ID:83019

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₂Cl₃OP
Molecular Mass
381.620041
Exact Mass
379.96913467
Charge
0
InChI
InChI=1S/C18H12Cl3OP/c19-13-1-7-16(8-2-13)23(22,17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12H
InChIKey
GJBIMMKVOGMMLP-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)P(=O)(c1ccc(cc1)Cl)c1ccc(cc1)Cl
Isomeric Smiles
P(=O)(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.3092
LogD (pH = 7.4)
6.3092
Log P
6.3092
Molar Refractivity
97.4802
Polarizability
38.520927
Polar Surface Area
17.07
Rotatable Bonds
3
Lipinski's Rule of Five
false
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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