Molecule

ID:15348

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆ClNO
Molecular Mass
249.73594
Exact Mass
249.09204182
Charge
0
InChI
InChI=1S/C14H15NO.ClH/c15-10-11-16-14-8-6-13(7-9-14)12-4-2-1-3-5-12;/h1-9H,10-11,15H2;1H
InChIKey
LZKZZTLIJSBIPU-UHFFFAOYSA-N
Canonic Smiles
NCCOc1ccc(cc1)c1ccccc1.Cl
Isomeric Smiles
c1(c2ccccc2)ccc(cc1)OCCN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.2957818
LogD (pH = 7.4)
0.8098564
Log P
2.665816
Molar Refractivity
65.6072
Polarizability
27.287323
Polar Surface Area
35.25
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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