Molecule

ID:30212

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈ClNO₂
Molecular Mass
255.74052
Exact Mass
255.1026065
Charge
0
InChI
InChI=1S/C13H18ClNO2/c14-11-3-5-12(6-4-11)17-9-7-15-10-13-2-1-8-16-13/h3-6,13,15H,1-2,7-10H2
InChIKey
AXIOEXHEXJKWDO-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)OCCNCC1CCCO1
Isomeric Smiles
O1C(CNCCOc2ccc(Cl)cc2)CCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.6103894
LogD (pH = 7.4)
0.7775496
Log P
2.473805
Molar Refractivity
68.3051
Polarizability
27.246096
Polar Surface Area
30.49
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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