Molecule

ID:67239

General Information
Structure
Molecular Formula
C₄H₂ClFN₂O
Molecular Mass
148.5228832
Exact Mass
147.98396859
Charge
0
InChI
InChI=1S/C4H2ClFN2O/c5-4-7-1-2(6)3(9)8-4/h1H,(H,7,8,9)
InChIKey
FHTLMXYURUPWJB-UHFFFAOYSA-N
Canonic Smiles
Clc1ncc(c(=O)[nH]1)F
Isomeric Smiles
c1([nH]c(=O)c(cn1)F)Cl
Calculated Properties
JChem
Acid pKa
3.7947268
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.18509349
LogD (pH = 7.4)
-0.24502252
Log P
0.6970857
Molar Refractivity
30.2656
Polarizability
10.953693
Polar Surface Area
41.46
Rotatable Bonds
0
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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