Molecule

ID:94498

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈ClFN₂O₂
Molecular Mass
254.6448232
Exact Mass
254.02583341
Charge
0
InChI
InChI=1S/C11H8ClFN2O2/c1-5-8(11(14)16)10(15-17-5)9-6(12)3-2-4-7(9)13/h2-4H,1H3,(H2,14,16)
InChIKey
PPKCMGUTHICRLU-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1c1noc(c1C(=O)N)C)Cl
Isomeric Smiles
n1c(c2c(cccc2Cl)F)c(c(o1)C)C(=O)N
Calculated Properties
JChem
Acid pKa
13.3575535
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.167815
LogD (pH = 7.4)
2.1678154
Log P
2.1678152
Molar Refractivity
61.5135
Polarizability
23.515512
Polar Surface Area
69.12
Rotatable Bonds
1
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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