Molecule

ID:15919

General Information
Structure
Molecular Formula
C₁₄H₁₆ClN
Molecular Mass
233.73654
Exact Mass
233.0971272
Charge
0
InChI
InChI=1S/C14H15N.ClH/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12;/h1-5,8-11H,6-7,15H2;1H
InChIKey
QJWSMOWGHWIWRZ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)CCc1ccccc1.Cl
Isomeric Smiles
c1ccc(cc1)CCc1ccc(cc1)N.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.6065612
LogD (pH = 7.4)
3.679665
Log P
3.6806827
Molar Refractivity
65.0966
Polarizability
24.671515
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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