Molecule

ID:42909

General Information
Structure
MolImage
Molecular Formula
C₇H₆FN₃
Molecular Mass
151.1410432
Exact Mass
151.05457543
Charge
0
InChI
InChI=1S/C7H6FN3/c8-4-1-2-6-5(3-4)7(9)11-10-6/h1-3H,(H3,9,10,11)
InChIKey
UWLBVJRYQQUECL-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)c(N)n[nH]2
Isomeric Smiles
c12c(n[nH]c1ccc(c2)F)N
Calculated Properties
JChem
Acid pKa
15.325947
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.202979
LogD (pH = 7.4)
1.2045215
Log P
1.2045412
Molar Refractivity
41.3034
Polarizability
15.423425
Polar Surface Area
54.7
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
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References
Bioactivity
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