Molecule

ID:53450

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉ClN₂O₃
Molecular Mass
252.65376
Exact Mass
252.03016984
Charge
0
InChI
InChI=1S/C11H9ClN2O3/c1-14-8-4-3-6(11(16)17-2)5-7(8)13-9(12)10(14)15/h3-5H,1-2H3
InChIKey
IPGFPYCUCUFJDU-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc2c(c1)nc(c(=O)n2C)Cl
Isomeric Smiles
n1(c(=O)c(nc2c1ccc(C(=O)OC)c2)Cl)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.5323691
LogD (pH = 7.4)
1.5323691
Log P
1.5323691
Molar Refractivity
64.4032
Polarizability
23.407583
Polar Surface Area
58.97
Rotatable Bonds
2
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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