Molecule

ID:56584

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₇Cl₂NO
Molecular Mass
358.26108
Exact Mass
357.06871953
Charge
0
InChI
InChI=1S/C20H17Cl2NO/c1-11(2)13-4-6-14(7-5-13)18-10-16(20(22)24)15-8-9-17(21)12(3)19(15)23-18/h4-11H,1-3H3
InChIKey
QMVBCKUQAHDNPI-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cc(nc2c1ccc(c2C)Cl)c1ccc(cc1)C(C)C
Isomeric Smiles
c12nc(cc(c1ccc(c2C)Cl)C(=O)Cl)c1ccc(cc1)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.7173595
LogD (pH = 7.4)
6.717364
Log P
6.717364
Molar Refractivity
99.895
Polarizability
40.744217
Polar Surface Area
29.96
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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