Molecule

ID:80681

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇N₃S
Molecular Mass
201.24768
Exact Mass
201.03606824
Charge
0
InChI
InChI=1S/C10H7N3S/c14-8-11-9-2-4-10(5-3-9)13-7-1-6-12-13/h1-7H
InChIKey
GLAOJNMWLIFKCG-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1ccc(cc1)n1cccn1
Isomeric Smiles
n1(c2ccc(cc2)N=C=S)nccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0808287
LogD (pH = 7.4)
3.0808887
Log P
3.0808895
Molar Refractivity
61.4826
Polarizability
23.126638
Polar Surface Area
30.18
Rotatable Bonds
2
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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