Molecule

ID:31352

General Information
Structure
Molecular Formula
C₇H₁₀F₃N₃
Molecular Mass
193.1696096
Exact Mass
193.082682
Charge
0
InChI
InChI=1S/C7H10F3N3/c8-7(9,10)6-2-5-13(12-6)4-1-3-11/h2,5H,1,3-4,11H2
InChIKey
WTBFWCUKDVZZJX-UHFFFAOYSA-N
Canonic Smiles
NCCCn1ccc(n1)C(F)(F)F
Isomeric Smiles
c1(nn(cc1)CCCN)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.0980926
LogD (pH = 7.4)
-1.7371138
Log P
0.9277806
Molar Refractivity
53.3783
Polarizability
15.38138
Polar Surface Area
43.84
Rotatable Bonds
4
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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