Molecule

ID:21793

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂ClN
Molecular Mass
239.78418
Exact Mass
239.14407739
Charge
0
InChI
InChI=1S/C14H21N.ClH/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;/h1,3-4,7-8,14-15H,2,5-6,9-12H2;1H
InChIKey
LMZVALKSTZVWRX-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CC1)CNCc1ccccc1.Cl
Isomeric Smiles
N(Cc1ccccc1)CC1CCCCC1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.42200157
LogD (pH = 7.4)
1.0455865
Log P
3.6458778
Molar Refractivity
65.051
Polarizability
25.932266
Polar Surface Area
12.03
Rotatable Bonds
4
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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