Molecule

ID:71750

General Information
Structure
MolImage
Molecular Formula
C₄H₆F₂N₄S
Molecular Mass
180.1790464
Exact Mass
180.02812365
Charge
0
InChI
InChI=1S/C4H6F2N4S/c1-11-4-9-8-3(2(5)6)10(4)7/h2H,7H2,1H3
InChIKey
LJWSXFAXCIECMR-UHFFFAOYSA-N
Canonic Smiles
CSc1nnc(n1N)C(F)F
Isomeric Smiles
n1(c(nnc1C(F)F)SC)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.22109538
LogD (pH = 7.4)
-0.22106937
Log P
-0.22106904
Molar Refractivity
41.9355
Polarizability
13.905049
Polar Surface Area
56.73
Rotatable Bonds
2
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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