Molecule

ID:24732

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆ClN
Molecular Mass
233.73654
Exact Mass
233.0971272
Charge
0
InChI
InChI=1S/C14H15N.ClH/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13;/h2-11H,15H2,1H3;1H
InChIKey
KATCFWMBDRASHY-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)c1ccccc1)N.Cl
Isomeric Smiles
c1(ccc(cc1)C(N)C)c1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.15777314
LogD (pH = 7.4)
0.9275906
Log P
3.1628146
Molar Refractivity
64.0864
Polarizability
26.709408
Polar Surface Area
26.02
Rotatable Bonds
2
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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