Molecule

ID:19385

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈ClN
Molecular Mass
211.73102
Exact Mass
211.11277726
Charge
0
InChI
InChI=1S/C12H17N.ClH/c1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;/h5-8,12-13H,2-4,9H2,1H3;1H
InChIKey
PYCJJIYTZIZFRQ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)C1CCCCN1.Cl
Isomeric Smiles
N1C(c2ccc(cc2)C)CCCC1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.24988304
LogD (pH = 7.4)
0.6180442
Log P
2.9551492
Molar Refractivity
56.1594
Polarizability
22.15578
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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