Molecule

ID:115166

General Information
Structure
MolImage
Molecular Formula
C₄H₆N₄S
Molecular Mass
142.18224
Exact Mass
142.03131721
Charge
0
InChI
InChI=1S/C4H6N4S/c5-3-6-7-4-8(3)1-2-9-4/h1-2H2,(H2,5,6)
InChIKey
AEPHDIQEIPWOEG-UHFFFAOYSA-N
Canonic Smiles
Nc1nnc2n1CCS2
Isomeric Smiles
n12c(nnc1N)SCC2
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.1458625
LogD (pH = 7.4)
-0.14542456
Log P
-0.14541897
Molar Refractivity
38.7658
Polarizability
13.402259
Polar Surface Area
56.73
Rotatable Bonds
0
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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