Molecule

ID:73660

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇N₃S
Molecular Mass
201.24768
Exact Mass
201.03606824
Charge
0
InChI
InChI=1S/C10H7N3S/c1-4-10-12-8(7-13(10)11-5-1)9-3-2-6-14-9/h1-7H
InChIKey
PASMWSYQOXVOJL-UHFFFAOYSA-N
Canonic Smiles
c1csc(c1)c1nc2n(c1)nccc2
Isomeric Smiles
s1cccc1c1cn2ncccc2n1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.44207
LogD (pH = 7.4)
2.4629235
Log P
2.4631963
Molar Refractivity
65.4277
Polarizability
22.007236
Polar Surface Area
30.19
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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