Molecule

ID:117183

General Information
Structure
MolImage
Molecular Formula
C₈H₃ClFNO₂
Molecular Mass
199.5663232
Exact Mass
198.98363424
Charge
0
InChI
InChI=1S/C8H3ClFNO2/c9-4-1-3(10)2-5-6(4)7(12)8(13)11-5/h1-2H,(H,11,12,13)
InChIKey
VXDPVOKLIGCRAN-UHFFFAOYSA-N
Canonic Smiles
Fc1cc2NC(=O)C(=O)c2c(c1)Cl
Isomeric Smiles
c12c(NC(=O)C1=O)cc(cc2Cl)F
Calculated Properties
JChem
Acid pKa
8.641298
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.3479922
LogD (pH = 7.4)
2.325302
Log P
2.3482902
Molar Refractivity
45.4962
Polarizability
16.316175
Polar Surface Area
46.17
Rotatable Bonds
0
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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