Molecule

ID:15366

General Information
Structure
Molecular Formula
C₁₃H₁₆ClNO
Molecular Mass
237.72524
Exact Mass
237.09204182
Charge
0
InChI
InChI=1S/C13H15NO.ClH/c1-14-9-10-15-13-8-4-6-11-5-2-3-7-12(11)13;/h2-8,14H,9-10H2,1H3;1H
InChIKey
UPZFJZISFGCCRU-UHFFFAOYSA-N
Canonic Smiles
CNCCOc1cccc2c1cccc2.Cl
Isomeric Smiles
c1ccc2c(c1)c(ccc2)OCCNC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.7311052
LogD (pH = 7.4)
0.37009084
Log P
2.4406478
Molar Refractivity
61.6958
Polarizability
25.672487
Polar Surface Area
21.26
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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