Molecule

ID:59239

General Information
Structure
Molecular Formula
C₃H₅N₃S
Molecular Mass
115.1569
Exact Mass
115.02041818
Charge
0
InChI
InChI=1S/C3H5N3S/c1-2-4-3(7)6-5-2/h1H3,(H2,4,5,6,7)
InChIKey
OUZCWDMJTKYHCA-UHFFFAOYSA-N
Canonic Smiles
Cc1n[nH]c(n1)S
Isomeric Smiles
n1c(nc([nH]1)S)C
Calculated Properties
JChem
Acid pKa
7.529751
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.2097798
LogD (pH = 7.4)
-0.43405432
Log P
-0.20515396
Molar Refractivity
31.1528
Polarizability
11.124812
Polar Surface Area
41.57
Rotatable Bonds
0
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
Molecule Details
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References
Bioactivity
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