Molecule

ID:15920

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆ClN
Molecular Mass
233.73654
Exact Mass
233.0971272
Charge
0
InChI
InChI=1S/C14H15N.ClH/c15-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12;/h1-9H,10-11,15H2;1H
InChIKey
LRVAJMCXGSVLCZ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1CCc1ccccc1.Cl
Isomeric Smiles
c1ccc(cc1)CCc1c(cccc1)N.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.6562324
LogD (pH = 7.4)
3.680366
Log P
3.6806827
Molar Refractivity
65.0966
Polarizability
24.672466
Polar Surface Area
26.02
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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