Molecule

ID:71104

General Information
Structure
MolImage
Molecular Formula
C₁₄H₈ClFN₂O
Molecular Mass
274.6775232
Exact Mass
274.03091879
Charge
0
InChI
InChI=1S/C14H8ClFN2O/c15-8-1-6-12-11(7-8)13(14(19)18-12)17-10-4-2-9(16)3-5-10/h1-7H,(H,17,18,19)
InChIKey
AUTSTCKRVMOLCA-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)/N=C/1\C(=O)Nc2c1cc(Cl)cc2
Isomeric Smiles
N1C(=O)/C(=N\c2ccc(cc2)F)/c2cc(ccc12)Cl
Calculated Properties
JChem
Acid pKa
10.038706
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.8600366
LogD (pH = 7.4)
3.8591018
Log P
3.8600488
Molar Refractivity
74.2418
Polarizability
26.330725
Polar Surface Area
41.46
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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