Molecule

ID:19430

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈ClN
Molecular Mass
211.73102
Exact Mass
211.11277726
Charge
0
InChI
InChI=1S/C12H17N.ClH/c1-10-3-2-4-12(9-10)11-5-7-13-8-6-11;/h2-4,9,11,13H,5-8H2,1H3;1H
InChIKey
ZVKQARCPEZNELE-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)C1CCNCC1.Cl
Isomeric Smiles
c1(cccc(c1)C)C1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.6304651
LogD (pH = 7.4)
0.022006143
Log P
2.591732
Molar Refractivity
56.5202
Polarizability
22.077408
Polar Surface Area
12.03
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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