Molecule

ID:13623

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆ClNO
Molecular Mass
249.73594
Exact Mass
249.09204182
Charge
0
InChI
InChI=1S/C14H15NO.ClH/c16-14-9-5-4-8-13(14)11-15-10-12-6-2-1-3-7-12;/h1-9,15-16H,10-11H2;1H
InChIKey
DJBQZBKIXNAJCP-UHFFFAOYSA-N
Canonic Smiles
Oc1ccccc1CNCc1ccccc1.Cl
Isomeric Smiles
c1ccc(c(c1)O)CNCc1ccccc1.Cl
Calculated Properties
JChem
Acid pKa
8.306184
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.16430509
LogD (pH = 7.4)
1.1022385
Log P
1.9289029
Molar Refractivity
65.8995
Polarizability
25.77801
Polar Surface Area
32.26
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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