Molecule

ID:64501

General Information
Structure
MolImage
Molecular Formula
C₈H₈FN₃
Molecular Mass
165.1676232
Exact Mass
165.07022549
Charge
0
InChI
InChI=1S/C8H8FN3/c1-12-7-5(8(10)11-12)3-2-4-6(7)9/h2-4H,1H3,(H2,10,11)
InChIKey
YTDIFLCLNBYPMN-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc2c1n(C)nc2N
Isomeric Smiles
n1(nc(c2c1c(F)ccc2)N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3267392
LogD (pH = 7.4)
1.3281987
Log P
1.3282173
Molar Refractivity
56.5194
Polarizability
17.187595
Polar Surface Area
43.84
Rotatable Bonds
0
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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