Molecule

ID:67649

General Information
Structure
MolImage
Molecular Formula
C₄H₆N₂S
Molecular Mass
114.16884
Exact Mass
114.0251692
Charge
0
InChI
InChI=1S/C4H6N2S/c1-3-2-6-4(5)7-3/h2H,1H3,(H2,5,6)
InChIKey
GUABFMPMKJGSBQ-UHFFFAOYSA-N
Canonic Smiles
Cc1cnc(s1)N
Isomeric Smiles
s1c(ncc1C)N
Calculated Properties
JChem
Acid pKa
17.811697
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.81863046
LogD (pH = 7.4)
1.1268342
Log P
1.1332234
Molar Refractivity
30.4964
Polarizability
11.029977
Polar Surface Area
38.91
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation