Molecule

ID:95298

General Information
Structure
MolImage
Molecular Formula
C₈H₈ClFN₂O
Molecular Mass
202.6133232
Exact Mass
202.03091879
Charge
0
InChI
InChI=1S/C8H8ClFN2O/c1-4(13)12-8-6(9)2-5(11)3-7(8)10/h2-3H,11H2,1H3,(H,12,13)
InChIKey
BRBJEVPAGDWZTL-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1c(F)cc(cc1Cl)N
Isomeric Smiles
N(c1c(cc(cc1F)N)Cl)C(=O)C
Calculated Properties
JChem
Acid pKa
11.750556
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.1284217
LogD (pH = 7.4)
1.128754
Log P
1.1287768
Molar Refractivity
50.6426
Polarizability
18.028563
Polar Surface Area
55.12
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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