Molecule

ID:30925

General Information
Structure
MolImage
Molecular Formula
C₇H₇N₃OS
Molecular Mass
181.21498
Exact Mass
181.03098286
Charge
0
InChI
InChI=1S/C7H7N3OS/c8-4-6-9-7(11-10-6)5-2-1-3-12-5/h1-3H,4,8H2
InChIKey
UKHKMVOPNGHNFA-UHFFFAOYSA-N
Canonic Smiles
NCc1noc(n1)c1cccs1
Isomeric Smiles
n1c(onc1CN)c1sccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.8521011
LogD (pH = 7.4)
0.7564421
Log P
1.0871168
Molar Refractivity
56.6497
Polarizability
17.794304
Polar Surface Area
64.94
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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