Molecule

ID:27399

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀ClFN₂OS
Molecular Mass
248.7049032
Exact Mass
248.01863985
Charge
0
InChI
InChI=1S/C9H10ClFN2OS/c10-7-2-1-3-8(11)6(7)4-15-5-9(14)13-12/h1-3H,4-5,12H2,(H,13,14)
InChIKey
RRUWNQCCTXDXDL-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)CSCc1c(F)cccc1Cl
Isomeric Smiles
c1(c(F)cccc1Cl)CSCC(=O)NN
Calculated Properties
JChem
Acid pKa
11.141264
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.6518131
LogD (pH = 7.4)
1.654149
Log P
1.6542524
Molar Refractivity
61.1132
Polarizability
23.176304
Polar Surface Area
55.12
Rotatable Bonds
4
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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