Molecule

ID:32967

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃ClN₂O₃
Molecular Mass
256.68552
Exact Mass
256.06146997
Charge
0
InChI
InChI=1S/C11H13ClN2O3/c1-11(2,3)10(17)14-6-4-5-7(9(15)16)13-8(6)12/h4-5H,1-3H3,(H,14,17)(H,15,16)
InChIKey
LZPRASZVDWUTNR-UHFFFAOYSA-N
Canonic Smiles
O=C(C(C)(C)C)Nc1ccc(nc1Cl)C(=O)O
Isomeric Smiles
c1c(nc(c(c1)NC(=O)C(C)(C)C)Cl)C(=O)O
Calculated Properties
JChem
Acid pKa
3.640852
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.8039534
LogD (pH = 7.4)
-0.6681042
Log P
2.6604753
Molar Refractivity
65.2168
Polarizability
24.223667
Polar Surface Area
79.29
Rotatable Bonds
3
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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