Molecule

ID:15686

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈ClNO₂
Molecular Mass
255.74052
Exact Mass
255.1026065
Charge
0
InChI
InChI=1S/C13H17NO2.ClH/c15-13(16)12-7-4-8-14(10-12)9-11-5-2-1-3-6-11;/h1-3,5-6,12H,4,7-10H2,(H,15,16);1H
InChIKey
GDQLYIBFDWPBDT-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CCCN(C1)Cc1ccccc1.Cl
Isomeric Smiles
C1(C(=O)O)CN(Cc2ccccc2)CCC1.Cl
Calculated Properties
JChem
Acid pKa
3.763939
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.5922577
LogD (pH = 7.4)
-0.5881527
Log P
-0.58683723
Molar Refractivity
62.8286
Polarizability
24.522387
Polar Surface Area
40.54
Rotatable Bonds
3
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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