Molecule

ID:23224

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉Cl₂FN₂O
Molecular Mass
299.1277632
Exact Mass
298.0075965
Charge
0
InChI
InChI=1S/C13H9Cl2FN2O/c14-7-1-3-9(10(15)5-7)13(19)18-12-6-8(17)2-4-11(12)16/h1-6H,17H2,(H,18,19)
InChIKey
HSNKTBVKLPSELZ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)C(=O)Nc1cc(N)ccc1F
Isomeric Smiles
c1(C(=O)Nc2cc(N)ccc2F)c(cc(cc1)Cl)Cl
Calculated Properties
JChem
Acid pKa
10.25694
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.5848002
LogD (pH = 7.4)
3.5863914
Log P
3.5869958
Molar Refractivity
76.1179
Polarizability
27.601126
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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