Molecule

ID:86096

General Information
Structure
Molecular Formula
C₁₃H₁₀N₂S₃
Molecular Mass
290.4269
Exact Mass
290.00061133
Charge
0
InChI
InChI=1S/C13H10N2S3/c1-2-5-14-12(3-1)17-8-11-9-18-13(15-11)10-4-6-16-7-10/h1-7,9H,8H2
InChIKey
RCKZXEGDWLFZTK-UHFFFAOYSA-N
Canonic Smiles
c1ccc(nc1)SCc1csc(n1)c1cscc1
Isomeric Smiles
n1c(c2cscc2)scc1CSc1ncccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.9336836
LogD (pH = 7.4)
3.936824
Log P
3.9368641
Molar Refractivity
88.6273
Polarizability
30.637724
Polar Surface Area
25.78
Rotatable Bonds
4
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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