Molecule

ID:27388

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁FN₂OS
Molecular Mass
214.2598432
Exact Mass
214.0576122
Charge
0
InChI
InChI=1S/C9H11FN2OS/c10-8-4-2-1-3-7(8)5-14-6-9(13)12-11/h1-4H,5-6,11H2,(H,12,13)
InChIKey
RZBJLFXBZHPWMO-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)CSCc1ccccc1F
Isomeric Smiles
C(=O)(NN)CSCc1c(F)cccc1
Calculated Properties
JChem
Acid pKa
11.884442
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.0477715
LogD (pH = 7.4)
1.0501637
Log P
1.0502077
Molar Refractivity
56.3084
Polarizability
21.239117
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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