Molecule

ID:32978

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅ClN₂O₃
Molecular Mass
270.7121
Exact Mass
270.07712003
Charge
0
InChI
InChI=1S/C12H15ClN2O3/c1-12(2,3)11(17)15-7-5-6-8(10(16)18-4)14-9(7)13/h5-6H,1-4H3,(H,15,17)
InChIKey
MRLNFXVKFSJUHZ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(c(n1)Cl)NC(=O)C(C)(C)C
Isomeric Smiles
c1c(nc(c(c1)NC(=O)C(C)(C)C)Cl)C(=O)OC
Calculated Properties
JChem
Acid pKa
11.368065
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.8063688
LogD (pH = 7.4)
2.806325
Log P
2.8063693
Molar Refractivity
69.9859
Polarizability
26.287857
Polar Surface Area
68.29
Rotatable Bonds
4
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
References
Bioactivity
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