Molecule

ID:46755

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₅Cl₂NO
Molecular Mass
366.3246
Exact Mass
365.13131979
Charge
0
InChI
InChI=1S/C20H24ClNO.ClH/c21-19-6-7-20(23-13-10-16-8-11-22-12-9-16)18(15-19)14-17-4-2-1-3-5-17;/h1-7,15-16,22H,8-14H2;1H
InChIKey
BCLUGRCBSZJWDM-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cc1ccccc1)OCCC1CCNCC1.Cl
Isomeric Smiles
c1(c(ccc(c1)Cl)OCCC1CCNCC1)Cc1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7508013
LogD (pH = 7.4)
2.2071912
Log P
4.982387
Molar Refractivity
96.7156
Polarizability
37.92188
Polar Surface Area
21.26
Rotatable Bonds
6
Lipinski's Rule of Five
true
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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