Molecule

ID:41574

General Information
Structure
Molecular Formula
C₄H₅N₅S
Molecular Mass
155.181
Exact Mass
155.02656619
Charge
0
InChI
InChI=1S/C4H5N5S/c5-1-2-10-4-7-3(6)8-9-4/h2H2,(H3,6,7,8,9)
InChIKey
PEAZUIGJTJHBCG-UHFFFAOYSA-N
Canonic Smiles
N#CCSc1n[nH]c(n1)N
Isomeric Smiles
n1c(n[nH]c1N)SCC#N
Calculated Properties
JChem
Acid pKa
10.82832
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.023642011
LogD (pH = 7.4)
-0.022340942
Log P
-0.022164341
Molar Refractivity
41.0096
Polarizability
14.089316
Polar Surface Area
91.38
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
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Molecule Details
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References
Bioactivity
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