Molecule

ID:86063

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₂Cl₃NO
Molecular Mass
376.66368
Exact Mass
374.99844705
Charge
0
InChI
InChI=1S/C19H12Cl3NO/c20-14-5-3-13(4-6-14)19(24)8-7-17-2-1-9-23(17)18-11-15(21)10-16(22)12-18/h1-12H
InChIKey
KRIONOPZNHZZFC-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)C(=O)/C=C/c1cccn1c1cc(Cl)cc(c1)Cl
Isomeric Smiles
n1(c2cc(cc(c2)Cl)Cl)c(ccc1)/C=C/C(=O)c1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
17.200743
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.7575
LogD (pH = 7.4)
5.7575
Log P
5.7575
Molar Refractivity
110.9213
Polarizability
38.910587
Polar Surface Area
22.0
Rotatable Bonds
4
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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