Molecule

ID:118884

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇N₃S
Molecular Mass
201.24768
Exact Mass
201.03606824
Charge
0
InChI
InChI=1S/C10H7N3S/c14-10-12-11-9-6-5-7-3-1-2-4-8(7)13(9)10/h1-6H,(H,12,14)
InChIKey
GQJIGZUQXYCDJW-UHFFFAOYSA-N
Canonic Smiles
Sc1nnc2n1c1ccccc1cc2
Isomeric Smiles
n12c(nnc1ccc1c2cccc1)S
Calculated Properties
JChem
Acid pKa
7.8890705
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5936989
LogD (pH = 7.4)
1.4786967
Log P
1.5954329
Molar Refractivity
59.9634
Polarizability
22.994265
Polar Surface Area
30.19
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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