Molecule

ID:55189

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀ClN
Molecular Mass
213.7469
Exact Mass
213.12842733
Charge
0
InChI
InChI=1S/C12H19N.ClH/c1-3-7-11(2)13-10-12-8-5-4-6-9-12;/h4-6,8-9,11,13H,3,7,10H2,1-2H3;1H
InChIKey
QKFHSDGHQDZZSO-UHFFFAOYSA-N
Canonic Smiles
CCCC(NCc1ccccc1)C.Cl
Isomeric Smiles
c1cccc(c1)CNC(CCC)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.052418582
LogD (pH = 7.4)
0.74513215
Log P
3.2720687
Molar Refractivity
57.5984
Polarizability
22.984793
Polar Surface Area
12.03
Rotatable Bonds
5
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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