Molecule

ID:13170

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄ClN
Molecular Mass
231.72066
Exact Mass
231.08147713
Charge
0
InChI
InChI=1S/C14H14ClN/c15-14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12/h1-9,16H,10-11H2
InChIKey
NLJKKSSMEUWPKM-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)CNCc1ccccc1
Isomeric Smiles
c1(ccc(cc1)Cl)CNCc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.81631726
LogD (pH = 7.4)
2.2787883
Log P
3.8601124
Molar Refractivity
68.7234
Polarizability
27.015936
Polar Surface Area
12.03
Rotatable Bonds
4
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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