Molecule

ID:101092

General Information
Structure
MolImage
Molecular Formula
C₇H₃N₃S₂
Molecular Mass
193.24882
Exact Mass
192.97683911
Charge
0
InChI
InChI=1S/C7H3N3S2/c11-4-8-5-1-2-6-7(3-5)10-12-9-6/h1-3H
InChIKey
HHDWFDQYUFKNCO-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1ccc2c(c1)nsn2
Isomeric Smiles
c12c(nsn1)ccc(c2)N=C=S
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.1386993
LogD (pH = 7.4)
3.1387
Log P
3.1387
Molar Refractivity
53.6033
Polarizability
20.486727
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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