Molecule

ID:60801

General Information
Structure
MolImage
Molecular Formula
C₄H₆N₂OS
Molecular Mass
130.16824
Exact Mass
130.02008382
Charge
0
InChI
InChI=1S/C4H6N2OS/c1-2-3(7)6-4(5)8-2/h2H,1H3,(H2,5,6,7)
InChIKey
KFQICKLJAUSMRR-UHFFFAOYSA-N
Canonic Smiles
NC1=NC(=O)C(S1)C
Isomeric Smiles
N1=C(SC(C1=O)C)N
Calculated Properties
JChem
Acid pKa
5.573649
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.35682598
LogD (pH = 7.4)
-1.9034764
Log P
-0.09127515
Molar Refractivity
32.0127
Polarizability
12.4434395
Polar Surface Area
55.45
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
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Molecule Details
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References
Bioactivity
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