Molecule

ID:56585

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₇Cl₂NO
Molecular Mass
358.26108
Exact Mass
357.06871953
Charge
0
InChI
InChI=1S/C20H17Cl2NO/c1-20(2,3)13-9-7-12(8-10-13)17-11-15(19(22)24)14-5-4-6-16(21)18(14)23-17/h4-11H,1-3H3
InChIKey
XTSLRNBWMWTHFW-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cc(nc2c1cccc2Cl)c1ccc(cc1)C(C)(C)C
Isomeric Smiles
n1c2c(c(cc1c1ccc(C(C)(C)C)cc1)C(=O)Cl)cccc2Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.5039887
LogD (pH = 7.4)
6.5039897
Log P
6.5039897
Molar Refractivity
99.3289
Polarizability
40.845818
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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