Molecule

ID:37121

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄F₃N₅S
Molecular Mass
293.3118696
Exact Mass
293.09220113
Charge
0
InChI
InChI=1S/C10H14F3N5S/c11-10(12,13)19-9-17-7(14)16-8(18-9)15-6-4-2-1-3-5-6/h6H,1-5H2,(H3,14,15,16,17,18)
InChIKey
WUUGYKXAOBNSKH-UHFFFAOYSA-N
Canonic Smiles
Nc1nc(NC2CCCCC2)nc(n1)SC(F)(F)F
Isomeric Smiles
c1(nc(nc(n1)N)NC1CCCCC1)SC(F)(F)F
Calculated Properties
JChem
Acid pKa
14.355565
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
4.272292
LogD (pH = 7.4)
4.3035254
Log P
4.303939
Molar Refractivity
71.2535
Polarizability
24.65192
Polar Surface Area
76.72
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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