Molecule

ID:76359

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈ClN
Molecular Mass
211.73102
Exact Mass
211.11277726
Charge
0
InChI
InChI=1S/C12H17N.ClH/c1-10-2-4-11(5-3-10)8-12-6-7-13-9-12;/h2-5,12-13H,6-9H2,1H3;1H
InChIKey
HNJRIYXWXCEXQZ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)CC1CNCC1.Cl
Isomeric Smiles
N1CC(Cc2ccc(cc2)C)CC1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.57072747
LogD (pH = 7.4)
-0.46018702
Log P
2.6696858
Molar Refractivity
56.4432
Polarizability
22.078022
Polar Surface Area
12.03
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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