Molecule

ID:89471

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₄OS
Molecular Mass
234.2776
Exact Mass
234.05753196
Charge
0
InChI
InChI=1S/C10H10N4OS/c11-10-13-7(6-4-2-1-3-5-6)8(16-10)9(15)14-12/h1-5H,12H2,(H2,11,13)(H,14,15)
InChIKey
UQRXCMSKYISJJV-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1sc(nc1c1ccccc1)N
Isomeric Smiles
n1c(sc(c1c1ccccc1)C(=O)NN)N
Calculated Properties
JChem
Acid pKa
14.181123
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
1.2061193
LogD (pH = 7.4)
1.2070307
Log P
1.2070423
Molar Refractivity
63.5509
Polarizability
24.462967
Polar Surface Area
94.03
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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