Molecule

ID:50003

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈ClFN₂O
Molecular Mass
250.6561232
Exact Mass
250.03091879
Charge
0
InChI
InChI=1S/C12H8ClFN2O/c13-11-10(2-1-7-15-11)12(17)16-9-5-3-8(14)4-6-9/h1-7H,(H,16,17)
InChIKey
AZEXRMFJVLDPOL-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)NC(=O)c1cccnc1Cl
Isomeric Smiles
C(=O)(c1c(nccc1)Cl)Nc1ccc(F)cc1
Calculated Properties
JChem
Acid pKa
10.674792
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.8143783
LogD (pH = 7.4)
2.814163
Log P
2.814382
Molar Refractivity
65.5171
Polarizability
23.70694
Polar Surface Area
41.99
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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