Molecule

ID:9272

General Information
Structure
MolImage
Molecular Formula
C₇H₃F₃N₂S
Molecular Mass
204.1723296
Exact Mass
203.99690377
Charge
0
InChI
InChI=1S/C7H3F3N2S/c8-7(9,10)4-1-2-5-6(3-4)12-13-11-5/h1-3H
InChIKey
KUFWKXPZEWUROO-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccc2c(c1)nsn2)(F)F
Isomeric Smiles
c1c(cc2c(c1)nsn2)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9947233
LogD (pH = 7.4)
2.9947233
Log P
2.9947233
Molar Refractivity
42.5141
Polarizability
16.018288
Polar Surface Area
25.78
Rotatable Bonds
1
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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