Molecule

ID:28367

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀F₃N₃
Molecular Mass
193.1696096
Exact Mass
193.082682
Charge
0
InChI
InChI=1S/C7H10F3N3/c1-5-4-6(7(8,9)10)12-13(5)3-2-11/h4H,2-3,11H2,1H3
InChIKey
SHUCOXQGYVIPDK-UHFFFAOYSA-N
Canonic Smiles
NCCn1nc(cc1C)C(F)(F)F
Isomeric Smiles
c1(nn(c(c1)C)CCN)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.9327315
LogD (pH = 7.4)
-1.1062144
Log P
1.0673822
Molar Refractivity
53.6626
Polarizability
15.313295
Polar Surface Area
43.84
Rotatable Bonds
3
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
Molecule Details
References
Bioactivity
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