Molecule

ID:7428

General Information
Structure
Molecular Formula
C₇H₈F₃N₃
Molecular Mass
191.1537296
Exact Mass
191.06703193
Charge
0
InChI
InChI=1S/C7H8F3N3/c1-4-2-5(7(8,9)10)3-6(12-4)13-11/h2-3H,11H2,1H3,(H,12,13)
InChIKey
MBJJCIYNRRPIGV-UHFFFAOYSA-N
Canonic Smiles
NNc1nc(C)cc(c1)C(F)(F)F
Isomeric Smiles
c1c(nc(cc1C(F)(F)F)NN)C
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.1864287
LogD (pH = 7.4)
0.4398438
Log P
1.7508922
Molar Refractivity
44.4865
Polarizability
15.027037
Polar Surface Area
50.94
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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