Molecule

ID:19376

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈ClN
Molecular Mass
211.73102
Exact Mass
211.11277726
Charge
0
InChI
InChI=1S/C12H17N.ClH/c1-10-4-6-11(7-5-10)12-3-2-8-13-9-12;/h4-7,12-13H,2-3,8-9H2,1H3;1H
InChIKey
JMZLKWZNRWZUSX-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)C1CCCNC1.Cl
Isomeric Smiles
N1CC(c2ccc(cc2)C)CCC1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.553429
LogD (pH = 7.4)
0.08350981
Log P
2.6696858
Molar Refractivity
56.4432
Polarizability
22.076382
Polar Surface Area
12.03
Rotatable Bonds
1
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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