Molecule

ID:98640

General Information
Structure
MolImage
Molecular Formula
C₉H₃ClF₅NS
Molecular Mass
287.636836
Exact Mass
286.95948888
Charge
0
InChI
InChI=1S/C9H3ClF5NS/c10-6-2-1-3-7(5(6)4-16)17-9(14,15)8(11,12)13/h1-3H
InChIKey
ATSKXISWTFTQFC-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(cccc1Cl)SC(C(F)(F)F)(F)F
Isomeric Smiles
Clc1cccc(c1C#N)SC(C(F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.480047
LogD (pH = 7.4)
4.480047
Log P
4.480047
Molar Refractivity
55.5589
Polarizability
20.085625
Polar Surface Area
23.79
Rotatable Bonds
3
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
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References
Bioactivity
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