Molecule

ID:53736

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃ClN₂O₃
Molecular Mass
256.68552
Exact Mass
256.06146997
Charge
0
InChI
InChI=1S/C11H13ClN2O3/c1-3-17-11(15)10(12)14-13-8-4-6-9(16-2)7-5-8/h4-7,13H,3H2,1-2H3/b14-10+
InChIKey
ATNPZEGMKLGIFA-GXDHUFHOSA-N
Canonic Smiles
CCOC(=O)/C(=N\Nc1ccc(cc1)OC)/Cl
Isomeric Smiles
C(=N\Nc1ccc(cc1)OC)(\C(=O)OCC)/Cl
Calculated Properties
JChem
Acid pKa
11.025967
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.9628055
LogD (pH = 7.4)
2.9627059
Log P
2.9628067
Molar Refractivity
66.0157
Polarizability
24.764936
Polar Surface Area
59.92
Rotatable Bonds
6
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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