Molecule
ID:124391
General Information
Molecular Formula
C₉H₆Cl₂FN₃
Molecular Mass
246.0684432
Exact Mass
244.99228079
Charge
0
InChI
InChI=1S/C9H6Cl2FN3/c10-8-13-9(11)15(14-8)5-6-1-3-7(12)4-2-6/h1-4H,5H2
InChIKey
SPSDJCVQXUVUNT-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)Cn1nc(nc1Cl)Cl
Isomeric Smiles
n1c(n(nc1Cl)Cc1ccc(F)cc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.404326
LogD (pH = 7.4)
3.404326
Log P
3.404326
Molar Refractivity
69.489
Polarizability
21.423561
Polar Surface Area
30.71
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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