Molecule

ID:25051

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆ClN
Molecular Mass
209.71514
Exact Mass
209.0971272
Charge
0
InChI
InChI=1S/C12H16ClN/c13-12-3-1-10(2-4-12)9-11-5-7-14-8-6-11/h1-4,11,14H,5-9H2
InChIKey
VPESQEWIPDEGSY-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)CC1CCNCC1
Isomeric Smiles
N1CCC(Cc2ccc(Cl)cc2)CC1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.1046422
LogD (pH = 7.4)
0.35226768
Log P
3.126924
Molar Refractivity
60.8848
Polarizability
23.960787
Polar Surface Area
12.03
Rotatable Bonds
2
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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