Molecule

ID:11111

General Information
Structure
MolImage
Molecular Formula
C₅H₅N₅OS
Molecular Mass
183.1911
Exact Mass
183.02148081
Charge
0
InChI
InChI=1S/C5H5N5OS/c6-2-1-3(11)7-4-8-9-5(12)10(2)4/h1H,6H2,(H,9,12)(H,7,8,11)
InChIKey
MRCIJKJAQFEBSP-UHFFFAOYSA-N
Canonic Smiles
Oc1cc(N)n2c(n1)nnc2S
Isomeric Smiles
c12n(c(cc(n1)O)N)c(nn2)S
Calculated Properties
JChem
Acid pKa
7.262132
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-0.83161736
LogD (pH = 7.4)
-1.1801436
Log P
-0.8244423
Molar Refractivity
48.737
Polarizability
16.46086
Polar Surface Area
89.33
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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