Molecule

ID:14240

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀N₂S₂
Molecular Mass
210.3191
Exact Mass
210.02854033
Charge
0
InChI
InChI=1S/C9H10N2S2/c1-2-12-9-11-7-4-3-6(10)5-8(7)13-9/h3-5H,2,10H2,1H3
InChIKey
TUMCWFMHZOUPDA-UHFFFAOYSA-N
Canonic Smiles
CCSc1nc2c(s1)cc(cc2)N
Isomeric Smiles
c12c(nc(s1)SCC)ccc(c2)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.8487747
LogD (pH = 7.4)
2.8500268
Log P
2.850043
Molar Refractivity
58.8591
Polarizability
23.507675
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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