Molecule

ID:7664

General Information
Structure
MolImage
Molecular Formula
C₆H₂ClFN₂S
Molecular Mass
188.6098832
Exact Mass
187.96112497
Charge
0
InChI
InChI=1S/C6H2ClFN2S/c7-3-1-5-6(2-4(3)8)10-11-9-5/h1-2H
InChIKey
MXKOABONVNDVKG-UHFFFAOYSA-N
Canonic Smiles
Clc1cc2nsnc2cc1F
Isomeric Smiles
c1(c(cc2c(c1)nsn2)F)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8636212
LogD (pH = 7.4)
2.8636215
Log P
2.8636215
Molar Refractivity
41.5616
Polarizability
16.456106
Polar Surface Area
25.78
Rotatable Bonds
0
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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