Molecule

ID:52210

General Information
Structure
MolImage
Molecular Formula
C₆H₇N₃S
Molecular Mass
153.20488
Exact Mass
153.03606824
Charge
0
InChI
InChI=1S/C6H7N3S/c7-6(10)9-5-2-1-3-8-4-5/h1-4H,(H3,7,9,10)
InChIKey
CFOJQUGXHMGMOT-UHFFFAOYSA-N
Canonic Smiles
NC(=S)Nc1cccnc1
Isomeric Smiles
N(C(=S)N)c1cnccc1
Calculated Properties
JChem
Acid pKa
9.4259815
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
0.51781034
LogD (pH = 7.4)
0.545318
Log P
0.5496078
Molar Refractivity
45.4317
Polarizability
16.974958
Polar Surface Area
50.94
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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