Molecule

ID:93442

General Information
Structure
MolImage
Molecular Formula
C₇H₄F₅NS
Molecular Mass
229.170376
Exact Mass
228.99846123
Charge
0
InChI
InChI=1S/C7H4F5NS/c8-14(9,10,11,12)7-3-1-2-6(4-7)5-13/h1-4H
InChIKey
SBTPAYUKMXEQMW-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cccc(c1)S(F)(F)(F)(F)F
Isomeric Smiles
S(c1cc(ccc1)C#N)(F)(F)(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.7442
LogD (pH = 7.4)
3.7442
Log P
3.7442
Molar Refractivity
44.4582
Polarizability
15.853517
Polar Surface Area
23.79
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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