Molecule

ID:17049

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉ClN₂O₃
Molecular Mass
240.64306
Exact Mass
240.03016984
Charge
0
InChI
InChI=1S/C10H9ClN2O3/c1-13-7-3-2-6(12-9(14)5-11)4-8(7)16-10(13)15/h2-4H,5H2,1H3,(H,12,14)
InChIKey
SNGWSYYOWYICSB-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)Nc1ccc2c(c1)oc(=O)n2C
Isomeric Smiles
c12c(cc(cc2)NC(=O)CCl)oc(=O)n1C
Calculated Properties
JChem
Acid pKa
13.121418
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.9707468
LogD (pH = 7.4)
0.9707461
Log P
0.9707469
Molar Refractivity
58.9963
Polarizability
21.980282
Polar Surface Area
58.64
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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