Molecule

ID:56589

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₇Cl₂NO
Molecular Mass
358.26108
Exact Mass
357.06871953
Charge
0
InChI
InChI=1S/C20H17Cl2NO/c1-2-3-5-13-8-10-14(11-9-13)18-12-16(20(22)24)15-6-4-7-17(21)19(15)23-18/h4,6-12H,2-3,5H2,1H3
InChIKey
PBKHYOQECUTSQG-UHFFFAOYSA-N
Canonic Smiles
CCCCc1ccc(cc1)c1cc(C(=O)Cl)c2c(n1)c(Cl)ccc2
Isomeric Smiles
n1c2c(c(cc1c1ccc(cc1)CCCC)C(=O)Cl)cccc2Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.80606
LogD (pH = 7.4)
6.806061
Log P
6.806061
Molar Refractivity
99.5072
Polarizability
40.847134
Polar Surface Area
29.96
Rotatable Bonds
5
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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