Molecule

ID:52655

General Information
Structure
MolImage
Molecular Formula
C₈H₆FN₃
Molecular Mass
163.1517432
Exact Mass
163.05457543
Charge
0
InChI
InChI=1S/C8H6FN3/c9-5-1-2-7-6(3-5)8(10)12-4-11-7/h1-4H,(H2,10,11,12)
InChIKey
ARIXAZJLBIBWSR-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)c(N)ncn2
Isomeric Smiles
c1(ccc2c(c1)c(ncn2)N)F
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.3160819
LogD (pH = 7.4)
1.3330749
Log P
1.3332961
Molar Refractivity
44.0308
Polarizability
16.834402
Polar Surface Area
51.8
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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