Molecule

ID:11249

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁N₃OS
Molecular Mass
221.27884
Exact Mass
221.06228299
Charge
0
InChI
InChI=1S/C10H11N3OS/c1-7(14)13-9(15-10(11)12-13)8-5-3-2-4-6-8/h2-6,9H,1H3,(H2,11,12)
InChIKey
FSUOZVHASSEDMX-UHFFFAOYSA-N
Canonic Smiles
CC(=O)N1N=C(SC1c1ccccc1)N
Isomeric Smiles
N1(C(SC(=N1)N)c1ccccc1)C(=O)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.5380538
LogD (pH = 7.4)
1.5384693
Log P
1.5384746
Molar Refractivity
59.9492
Polarizability
23.131931
Polar Surface Area
58.69
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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