Molecule

ID:45043

General Information
Structure
MolImage
Molecular Formula
C₆H₈N₂O₂
Molecular Mass
140.13992
Exact Mass
140.05857751
Charge
0
InChI
InChI=1S/C6H8N2O2/c9-5-3-1-2-4(3)7-6(10)8-5/h3-4H,1-2H2,(H2,7,8,9,10)/t3-,4+/m0/s1
InChIKey
FIRMRKTYBGULCU-IUYQGCFVSA-N
Canonic Smiles
O=C1N[C@@H]2CC[C@@H]2C(=O)N1
Isomeric Smiles
N1C(=O)[C@@H]2[C@H](NC1=O)CC2
Calculated Properties
JChem
Acid pKa
11.683916
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.6394189
LogD (pH = 7.4)
-0.63944095
Log P
-0.6394186
Molar Refractivity
32.8596
Polarizability
12.846111
Polar Surface Area
58.2
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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