Molecule

ID:51036

General Information
Structure
MolImage
Molecular Formula
C₈H₇F₂N₃
Molecular Mass
183.1580864
Exact Mass
183.06080368
Charge
0
InChI
InChI=1S/C8H7F2N3/c1-13-7-3-6(10)5(9)2-4(7)8(11)12-13/h2-3H,1H3,(H2,11,12)
InChIKey
WXLSWUUBKKQGKX-UHFFFAOYSA-N
Canonic Smiles
Fc1cc2n(C)nc(c2cc1F)N
Isomeric Smiles
c12c(nn(c1cc(c(c2)F)F)C)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4695988
LogD (pH = 7.4)
1.4709026
Log P
1.4709193
Molar Refractivity
56.7358
Polarizability
16.911266
Polar Surface Area
43.84
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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