Molecule

ID:12702

General Information
Structure
MolImage
Molecular Formula
C₈H₇N₃OS
Molecular Mass
193.22568
Exact Mass
193.03098286
Charge
0
InChI
InChI=1S/C8H7N3OS/c9-7(12)4-1-2-5-6(3-4)13-8(10)11-5/h1-3H,(H2,9,12)(H2,10,11)
InChIKey
HPRLVAQRFQEQPF-UHFFFAOYSA-N
Canonic Smiles
Nc1nc2c(s1)cc(cc2)C(=O)N
Isomeric Smiles
s1c(nc2c1cc(cc2)C(=O)N)N
Calculated Properties
JChem
Acid pKa
14.234351
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.80148995
LogD (pH = 7.4)
0.8192052
Log P
0.81943613
Molar Refractivity
50.3808
Polarizability
19.596191
Polar Surface Area
82.0
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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