Molecule

ID:57779

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉ClN₂O₃
Molecular Mass
252.65376
Exact Mass
252.03016984
Charge
0
InChI
InChI=1S/C11H9ClN2O3/c1-2-16-11(15)10-13-9(14-17-10)7-3-5-8(12)6-4-7/h3-6H,2H2,1H3
InChIKey
DNTKXLXLDDGVOB-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1onc(n1)c1ccc(cc1)Cl
Isomeric Smiles
n1c(onc1c1ccc(cc1)Cl)C(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.112806
LogD (pH = 7.4)
3.112806
Log P
3.112806
Molar Refractivity
73.1411
Polarizability
23.945433
Polar Surface Area
65.22
Rotatable Bonds
4
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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