Molecule

ID:23524

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉Cl₂FN₂O
Molecular Mass
299.1277632
Exact Mass
298.0075965
Charge
0
InChI
InChI=1S/C13H9Cl2FN2O/c14-8-3-7(4-9(15)5-8)13(19)18-12-6-10(17)1-2-11(12)16/h1-6H,17H2,(H,18,19)
InChIKey
RAXCEVIZANUMCQ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)NC(=O)c1cc(Cl)cc(c1)Cl)F
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1F)c1cc(cc(c1)Cl)Cl
Calculated Properties
JChem
Acid pKa
10.456509
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.5848114
LogD (pH = 7.4)
3.5866039
Log P
3.5869958
Molar Refractivity
76.1179
Polarizability
27.582575
Polar Surface Area
55.12
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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