Molecule

ID:55425

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆ClNO
Molecular Mass
249.73594
Exact Mass
249.09204182
Charge
0
InChI
InChI=1S/C14H15NO.ClH/c15-10-13-7-4-8-14(9-13)16-11-12-5-2-1-3-6-12;/h1-9H,10-11,15H2;1H
InChIKey
OOQQYQQLMPJNJB-UHFFFAOYSA-N
Canonic Smiles
NCc1cccc(c1)OCc1ccccc1.Cl
Isomeric Smiles
c1(cccc(c1)CN)OCc1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.31450847
LogD (pH = 7.4)
0.6808134
Log P
2.665816
Molar Refractivity
65.6072
Polarizability
25.850647
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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