Molecule

ID:47035

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈ClNO₃
Molecular Mass
271.73992
Exact Mass
271.09752112
Charge
0
InChI
InChI=1S/C13H17NO3.ClH/c1-2-16-13(15)11-5-3-4-6-12(11)17-10-7-8-14-9-10;/h3-6,10,14H,2,7-9H2,1H3;1H
InChIKey
GHZKMRHHNSTHLE-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccccc1OC1CNCC1.Cl
Isomeric Smiles
c1(C(=O)OCC)c(OC2CCNC2)cccc1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.4686859
LogD (pH = 7.4)
-0.93362623
Log P
1.759658
Molar Refractivity
64.5861
Polarizability
25.432352
Polar Surface Area
47.56
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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