Molecule

ID:80849

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂OS₂
Molecular Mass
250.3399
Exact Mass
250.02345495
Charge
0
InChI
InChI=1S/C11H10N2OS2/c12-6-9(10(13)14)11(15)16-7-8-4-2-1-3-5-8/h1-5,15H,7H2,(H2,13,14)
InChIKey
CEGBRHVPDVSHBN-UHFFFAOYSA-N
Canonic Smiles
N#C/C(=C(/SCc1ccccc1)\S)/C(=O)N
Isomeric Smiles
N#C/C(=C(/SCc1ccccc1)\S)/C(=O)N
Calculated Properties
JChem
Acid pKa
6.188766
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.1857457
LogD (pH = 7.4)
1.3607446
Log P
2.2602654
Molar Refractivity
78.9902
Polarizability
26.507084
Polar Surface Area
66.88
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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