Molecule

ID:23982

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈ClNO₂
Molecular Mass
255.74052
Exact Mass
255.1026065
Charge
0
InChI
InChI=1S/C13H17NO2.ClH/c15-10-11-4-5-13(16)12(8-11)9-14-6-2-1-3-7-14;/h4-5,8,10,16H,1-3,6-7,9H2;1H
InChIKey
WSPIJGOTHPHZBU-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(c(c1)CN1CCCCC1)O.Cl
Isomeric Smiles
c1(CN2CCCCC2)c(ccc(c1)C=O)O.Cl
Calculated Properties
JChem
Acid pKa
6.1369333
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.14161834
LogD (pH = 7.4)
0.82085294
Log P
0.79645216
Molar Refractivity
65.3076
Polarizability
24.667097
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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