Molecule

ID:58291

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁N₃S
Molecular Mass
205.27944
Exact Mass
205.06736837
Charge
0
InChI
InChI=1S/C10H11N3S/c11-4-1-9-7-14-10(13-9)8-2-5-12-6-3-8/h2-3,5-7H,1,4,11H2
InChIKey
HMCNIFZEHKXHEM-UHFFFAOYSA-N
Canonic Smiles
NCCc1csc(n1)c1ccncc1
Isomeric Smiles
n1c(scc1CCN)c1ccncc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.109539
LogD (pH = 7.4)
-1.1814139
Log P
0.8833895
Molar Refractivity
66.8617
Polarizability
22.605967
Polar Surface Area
51.8
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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