Molecule

ID:61665

General Information
Structure
Molecular Formula
C₆H₉N₃S₃
Molecular Mass
219.35076
Exact Mass
218.9958603
Charge
0
InChI
InChI=1S/C6H9N3S3/c1-10-4-7-5(11-2)9-6(8-4)12-3/h1-3H3
InChIKey
KMWQATAKCGOGFB-UHFFFAOYSA-N
Canonic Smiles
CSc1nc(SC)nc(n1)SC
Isomeric Smiles
n1c(nc(nc1SC)SC)SC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.7767415
LogD (pH = 7.4)
3.7767415
Log P
3.7767415
Molar Refractivity
60.6363
Polarizability
22.42355
Polar Surface Area
38.67
Rotatable Bonds
3
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
No Data Available
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Molecule Details
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References
Bioactivity
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