Molecule

ID:6609

General Information
Structure
MolImage
Molecular Formula
C₃H₂F₃N₃S
Molecular Mass
169.1282896
Exact Mass
168.99215274
Charge
0
InChI
InChI=1S/C3H2F3N3S/c4-3(5,6)1-8-9-2(7)10-1/h(H2,7,9)
InChIKey
LTEUXHSAYOSFGQ-UHFFFAOYSA-N
Canonic Smiles
FC(c1nnc(s1)N)(F)F
Isomeric Smiles
c1(sc(nn1)N)C(F)(F)F
Calculated Properties
JChem
Acid pKa
13.8494835
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.85900897
LogD (pH = 7.4)
0.85900915
Log P
0.8590093
Molar Refractivity
31.0138
Polarizability
10.213703
Polar Surface Area
51.8
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
No Data Available
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Molecule Details
References
Bioactivity
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