Molecule

ID:68384

General Information
Structure
MolImage
Molecular Formula
C₉H₃ClF₄N₂
Molecular Mass
250.5801328
Exact Mass
249.99208867
Charge
0
InChI
InChI=1S/C9H3ClF4N2/c10-7-4-2-1-3-5(11)6(4)15-8(16-7)9(12,13)14/h1-3H
InChIKey
UUHMCYYJRVPENY-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc2c1nc(nc2Cl)C(F)(F)F
Isomeric Smiles
n1c(nc(c2cccc(c12)F)Cl)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.0119734
LogD (pH = 7.4)
4.0119734
Log P
4.0119734
Molar Refractivity
50.5176
Polarizability
19.027285
Polar Surface Area
25.78
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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