Molecule

ID:30446

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀ClNO₃
Molecular Mass
273.7558
Exact Mass
273.11317119
Charge
0
InChI
InChI=1S/C13H19NO3.ClH/c1-2-15-7-3-6-14-9-11-4-5-12-13(8-11)17-10-16-12;/h4-5,8,14H,2-3,6-7,9-10H2,1H3;1H
InChIKey
AWDMEVWZQZQRLW-UHFFFAOYSA-N
Canonic Smiles
CCOCCCNCc1ccc2c(c1)OCO2.Cl
Isomeric Smiles
c12c(OCO1)ccc(c2)CNCCCOCC.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.6411027
LogD (pH = 7.4)
-0.5098909
Log P
1.5246203
Molar Refractivity
65.7304
Polarizability
26.054996
Polar Surface Area
39.72
Rotatable Bonds
7
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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