Molecule

ID:80068

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁ClN₂O₃
Molecular Mass
278.69104
Exact Mass
278.0458199
Charge
0
InChI
InChI=1S/C13H11ClN2O3/c1-15-11(14)9(12(18)16(2)13(15)19)10(17)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKey
UERWFHMCHQGBAE-UHFFFAOYSA-N
Canonic Smiles
O=C(c1c(Cl)n(C)c(=O)n(c1=O)C)c1ccccc1
Isomeric Smiles
n1(c(c(c(=O)n(c1=O)C)C(=O)c1ccccc1)Cl)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.6028545
LogD (pH = 7.4)
1.6028545
Log P
1.6028545
Molar Refractivity
80.5043
Polarizability
26.635164
Polar Surface Area
57.69
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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