Molecule

ID:72340

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄ClNO₃
Molecular Mass
255.69746
Exact Mass
255.06622099
Charge
0
InChI
InChI=1S/C12H14ClNO3/c1-3-17-12(16)9-4-6-10(7-5-9)14-11(15)8(2)13/h4-8H,3H2,1-2H3,(H,14,15)
InChIKey
MDHXPVGOYFJILO-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(cc1)NC(=O)C(Cl)C
Isomeric Smiles
C(=O)(Nc1ccc(C(=O)OCC)cc1)C(Cl)C
Calculated Properties
JChem
Acid pKa
12.68667
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.677349
LogD (pH = 7.4)
2.677347
Log P
2.677349
Molar Refractivity
66.942
Polarizability
25.184826
Polar Surface Area
55.4
Rotatable Bonds
5
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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