Molecule

ID:65309

General Information
Structure
MolImage
Molecular Formula
C₆H₉N₃S
Molecular Mass
155.22076
Exact Mass
155.0517183
Charge
0
InChI
InChI=1S/C6H9N3S/c1-4-5(2)8-9-6(7-4)10-3/h1-3H3
InChIKey
YMBMXBOUDJKXSC-UHFFFAOYSA-N
Canonic Smiles
CSc1nnc(c(n1)C)C
Isomeric Smiles
c1(nnc(nc1C)SC)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.6396812
LogD (pH = 7.4)
0.63970864
Log P
0.639709
Molar Refractivity
44.4735
Polarizability
16.115726
Polar Surface Area
38.67
Rotatable Bonds
1
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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