Molecule

ID:63104

General Information
Structure
MolImage
Molecular Formula
C₆H₇F₃N₄
Molecular Mass
192.1417896
Exact Mass
192.0622809
Charge
0
InChI
InChI=1S/C6H7F3N4/c7-6(8,9)5-12-11-4-3-10-1-2-13(4)5/h10H,1-3H2
InChIKey
FMTDZGCPYKWMPT-UHFFFAOYSA-N
Canonic Smiles
FC(c1nnc2n1CCNC2)(F)F
Isomeric Smiles
c1(n2CCNCc2nn1)C(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.3178045
LogD (pH = 7.4)
-0.23367569
Log P
-0.1666161
Molar Refractivity
40.1826
Polarizability
13.97318
Polar Surface Area
42.74
Rotatable Bonds
1
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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