Molecule

ID:58811

General Information
Structure
MolImage
Molecular Formula
C₅H₇FN₄O
Molecular Mass
158.1336832
Exact Mass
158.06038908
Charge
0
InChI
InChI=1S/C5H7FN4O/c1-11-5-8-2-3(6)4(9-5)10-7/h2H,7H2,1H3,(H,8,9,10)
InChIKey
CWCLTMYHVXUXDW-UHFFFAOYSA-N
Canonic Smiles
COc1ncc(c(n1)NN)F
Isomeric Smiles
c1nc(nc(c1F)NN)OC
Calculated Properties
JChem
Acid pKa
15.52253
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
0.6973703
LogD (pH = 7.4)
0.69962347
Log P
0.6996523
Molar Refractivity
39.3681
Polarizability
13.474269
Polar Surface Area
73.06
Rotatable Bonds
2
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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