Molecule

ID:55476

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄ClNO₃
Molecular Mass
231.67606
Exact Mass
231.06622099
Charge
0
InChI
InChI=1S/C10H13NO3.ClH/c1-12-5-8-6-13-9-3-2-7(11)4-10(9)14-8;/h2-4,8H,5-6,11H2,1H3;1H
InChIKey
GLCHOAZMEVMSPO-UHFFFAOYSA-N
Canonic Smiles
COCC1COc2c(O1)cc(cc2)N.Cl
Isomeric Smiles
c1c(ccc2c1OC(CO2)COC)N.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.62220913
LogD (pH = 7.4)
0.66960454
Log P
0.670244
Molar Refractivity
52.4295
Polarizability
20.169535
Polar Surface Area
53.71
Rotatable Bonds
2
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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