Molecule

ID:86654

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀N₂OS₂
Molecular Mass
274.3613
Exact Mass
274.02345495
Charge
0
InChI
InChI=1S/C13H10N2OS2/c1-9-2-4-10(5-3-9)18-12-11(8-16)15-6-7-17-13(15)14-12/h2-8H,1H3
InChIKey
UNIGDMGLJKRXHV-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(Sc2ccc(cc2)C)nc2n1ccs2
Isomeric Smiles
n1c2n(ccs2)c(c1Sc1ccc(cc1)C)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.9573743
LogD (pH = 7.4)
3.9573996
Log P
3.9574
Molar Refractivity
88.0127
Polarizability
28.291065
Polar Surface Area
34.37
Rotatable Bonds
3
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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