Molecule

ID:118888

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂S₂
Molecular Mass
222.3298
Exact Mass
222.02854033
Charge
0
InChI
InChI=1S/C10H10N2S2/c1-5-11-9(13)8-6-3-2-4-7(6)14-10(8)12-5/h2-4H2,1H3,(H,11,12,13)
InChIKey
MWFZEUBQIDDVDU-UHFFFAOYSA-N
Canonic Smiles
Cc1nc(S)c2c(n1)sc1c2CCC1
Isomeric Smiles
c12c(sc3c2CCC3)nc(nc1S)C
Calculated Properties
JChem
Acid pKa
7.800969
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.5930302
LogD (pH = 7.4)
3.4559631
Log P
3.595125
Molar Refractivity
61.782
Polarizability
23.510145
Polar Surface Area
25.78
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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