Molecule

ID:80555

General Information
Structure
MolImage
Molecular Formula
C₇H₃N₃S₂
Molecular Mass
193.24882
Exact Mass
192.97683911
Charge
0
InChI
InChI=1S/C7H3N3S2/c11-4-8-5-2-1-3-6-7(5)10-12-9-6/h1-3H
InChIKey
JMBKFBYZSWMIOI-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1cccc2c1nsn2
Isomeric Smiles
s1nc2c(n1)cccc2N=C=S
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.1387
LogD (pH = 7.4)
3.1387
Log P
3.1387
Molar Refractivity
53.6033
Polarizability
20.493364
Polar Surface Area
38.14
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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