Molecule

ID:15895

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄ClNO₂
Molecular Mass
263.71946
Exact Mass
263.07130637
Charge
0
InChI
InChI=1S/C14H13NO2.ClH/c16-14(17)13-7-2-1-5-11(13)8-9-12-6-3-4-10-15-12;/h1-7,10H,8-9H2,(H,16,17);1H
InChIKey
ADUKIXJKWPAIRW-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccccc1CCc1ccccn1.Cl
Isomeric Smiles
c1ccc(nc1)CCc1c(cccc1)C(=O)O.Cl
Calculated Properties
JChem
Acid pKa
3.885834
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.1814772
LogD (pH = 7.4)
-0.21444327
Log P
1.3367918
Molar Refractivity
65.0717
Polarizability
24.874266
Polar Surface Area
50.19
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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