Molecule

ID:65070

General Information
Structure
MolImage
Molecular Formula
C₄H₅N₃S
Molecular Mass
127.1676
Exact Mass
127.02041818
Charge
0
InChI
InChI=1S/C4H5N3S/c1-8-4-5-2-3-6-7-4/h2-3H,1H3
InChIKey
NFHGWQLAJYTULJ-UHFFFAOYSA-N
Canonic Smiles
CSc1nccnn1
Isomeric Smiles
c1cnc(nn1)SC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.3769683
LogD (pH = 7.4)
0.37696865
Log P
0.37696865
Molar Refractivity
35.2905
Polarizability
12.598329
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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