Molecule

ID:78223

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁N₃S
Molecular Mass
205.27944
Exact Mass
205.06736837
Charge
0
InChI
InChI=1S/C10H11N3S/c1-13-7-6-12-10(13)14-9-4-2-8(11)3-5-9/h2-7H,11H2,1H3
InChIKey
JOFUTRSZJZSTKG-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)Sc1nccn1C
Isomeric Smiles
n1(ccnc1Sc1ccc(cc1)N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.0088594
LogD (pH = 7.4)
2.1208665
Log P
2.1225255
Molar Refractivity
60.7673
Polarizability
22.682802
Polar Surface Area
43.84
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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