Molecule

ID:40025

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆ClNO₂
Molecular Mass
265.73534
Exact Mass
265.08695644
Charge
0
InChI
InChI=1S/C14H15NO2.ClH/c15-14-10(7-16)8-17-12-6-5-9-3-1-2-4-11(9)13(12)14;/h1-6,10,14,16H,7-8,15H2;1H
InChIKey
VUFHLNMXAWIEEJ-UHFFFAOYSA-N
Canonic Smiles
OCC1COc2c(C1N)c1ccccc1cc2.Cl
Isomeric Smiles
c12C(C(COc2ccc2c1cccc2)CO)N.Cl
Calculated Properties
JChem
Acid pKa
15.337599
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.7253714
LogD (pH = 7.4)
-0.42118353
Log P
1.1827457
Molar Refractivity
65.9957
Polarizability
27.322704
Polar Surface Area
55.48
Rotatable Bonds
1
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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