Molecule
ID:42804
General Information
Molecular Formula
C₈H₇FN₄O
Molecular Mass
194.1657832
Exact Mass
194.06038908
Charge
0
InChI
InChI=1S/C8H7FN4O/c9-5-1-2-7-11-6(8(14)12-10)4-13(7)3-5/h1-4H,10H2,(H,12,14)
InChIKey
CVGROIUUKDEOFN-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1cn2c(n1)ccc(c2)F
Isomeric Smiles
c1(nc2n(c1)cc(cc2)F)C(=O)NN
Calculated Properties
JChem
Acid pKa
14.131878
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.16478035
LogD (pH = 7.4)
-0.1578233
Log P
-0.15773371
Molar Refractivity
49.3433
Polarizability
17.345325
Polar Surface Area
72.42
Rotatable Bonds
1
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
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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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