Molecule

ID:76170

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆ClN
Molecular Mass
233.73654
Exact Mass
233.0971272
Charge
0
InChI
InChI=1S/C14H15N.ClH/c1-11-2-6-13(7-3-11)14-8-4-12(10-15)5-9-14;/h2-9H,10,15H2,1H3;1H
InChIKey
NWVQALIMAKSDDJ-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(cc1)c1ccc(cc1)C.Cl
Isomeric Smiles
NCc1ccc(cc1)c1ccc(cc1)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.27272117
LogD (pH = 7.4)
1.2194992
Log P
3.259661
Molar Refractivity
64.7088
Polarizability
26.623203
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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