Molecule

ID:51673

General Information
Structure
Molecular Formula
C₇H₃ClFIN₂
Molecular Mass
296.4679932
Exact Mass
295.90135201
Charge
0
InChI
InChI=1S/C7H3ClFIN2/c8-6-3(9)1-11-7-5(6)4(10)2-12-7/h1-2H,(H,11,12)
InChIKey
GQIXDQQTKUFJIN-UHFFFAOYSA-N
Canonic Smiles
Fc1cnc2c(c1Cl)c(I)c[nH]2
Isomeric Smiles
c1(cnc2c(c1Cl)c(c[nH]2)I)F
Calculated Properties
JChem
Acid pKa
12.974373
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.897487
LogD (pH = 7.4)
2.8974874
Log P
2.8974886
Molar Refractivity
53.3239
Polarizability
21.008709
Polar Surface Area
28.68
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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