Molecule

ID:82148

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₄OS₂
Molecular Mass
266.3426
Exact Mass
266.02960296
Charge
0
InChI
InChI=1S/C10H10N4OS2/c1-16-10-13-12-8(9(15)14(10)11)5-4-7-3-2-6-17-7/h2-6H,11H2,1H3
InChIKey
KWNAOUCQVBDDCM-UHFFFAOYSA-N
Canonic Smiles
CSc1nnc(c(=O)n1N)/C=C/c1cccs1
Isomeric Smiles
n1(c(=O)c(nnc1SC)/C=C/c1cccs1)N
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.4337206
LogD (pH = 7.4)
2.433891
Log P
2.4338932
Molar Refractivity
71.6015
Polarizability
26.358038
Polar Surface Area
71.05
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
No Data Available
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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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