Molecule

ID:13490

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂ClN
Molecular Mass
239.78418
Exact Mass
239.14407739
Charge
0
InChI
InChI=1S/C14H21N.ClH/c1-12(13-8-4-2-5-9-13)15-14-10-6-3-7-11-14;/h2,4-5,8-9,12,14-15H,3,6-7,10-11H2,1H3;1H
InChIKey
XMFZUZSSZIYEIF-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccccc1)NC1CCCCC1.Cl
Isomeric Smiles
c1cccc(c1)C(NC1CCCCC1)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.5202084
LogD (pH = 7.4)
1.0791446
Log P
3.74744
Molar Refractivity
64.739
Polarizability
25.931797
Polar Surface Area
12.03
Rotatable Bonds
3
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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