Molecule

ID:29520

General Information
Structure
Molecular Formula
C₁₈H₂₁Cl₂NO
Molecular Mass
338.27144
Exact Mass
337.10001966
Charge
0
InChI
InChI=1S/C18H21Cl2NO/c1-13-5-7-16(11-14(13)2)21-9-3-4-10-22-18-8-6-15(19)12-17(18)20/h5-8,11-12,21H,3-4,9-10H2,1-2H3
InChIKey
SKSJINWHQFRVAL-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)OCCCCNc1ccc(c(c1)C)C
Isomeric Smiles
c1(cc(ccc1OCCCCNc1cc(c(cc1)C)C)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.5396338
LogD (pH = 7.4)
5.895225
Log P
5.902328
Molar Refractivity
96.006
Polarizability
36.377724
Polar Surface Area
21.26
Rotatable Bonds
7
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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