Molecule

ID:18221

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀N₂S₂
Molecular Mass
210.3191
Exact Mass
210.02854033
Charge
0
InChI
InChI=1S/C9H10N2S2/c1-2-6-3-4-8(13-6)7-5-12-9(10)11-7/h3-5H,2H2,1H3,(H2,10,11)
InChIKey
GYZHXUUINWLKJY-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(s1)c1csc(n1)N
Isomeric Smiles
Nc1scc(n1)c1ccc(s1)CC
Calculated Properties
JChem
Acid pKa
16.579367
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.3799236
LogD (pH = 7.4)
3.387913
Log P
3.3880157
Molar Refractivity
56.6745
Polarizability
22.447956
Polar Surface Area
38.91
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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