Molecule

ID:86101

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅N₃OS₂
Molecular Mass
293.4077
Exact Mass
293.06565412
Charge
0
InChI
InChI=1S/C13H15N3OS2/c1-2-4-14-12(3-1)18-9-11-10-19-13(15-11)16-5-7-17-8-6-16/h1-4,10H,5-9H2
InChIKey
RRGCCPGBEGTESU-UHFFFAOYSA-N
Canonic Smiles
O1CCN(CC1)c1scc(n1)CSc1ccccn1
Isomeric Smiles
n1c(N2CCOCC2)scc1CSc1ncccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.7019205
LogD (pH = 7.4)
2.705401
Log P
2.7054453
Molar Refractivity
79.3963
Polarizability
30.179298
Polar Surface Area
38.25
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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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