Molecule

ID:41667

General Information
Structure
MolImage
Molecular Formula
C₆H₅N₃S
Molecular Mass
151.189
Exact Mass
151.02041818
Charge
0
InChI
InChI=1S/C6H5N3S/c7-5-4-1-2-10-6(4)9-3-8-5/h1-3H,(H2,7,8,9)
InChIKey
DYTQGJLVGDSCLF-UHFFFAOYSA-N
Canonic Smiles
Nc1ncnc2c1ccs2
Isomeric Smiles
c12c(ncnc1N)scc2
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.0388399
LogD (pH = 7.4)
1.0584971
Log P
1.0587538
Molar Refractivity
41.0289
Polarizability
15.201593
Polar Surface Area
51.8
Rotatable Bonds
0
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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