Molecule

ID:74800

General Information
Structure
MolImage
Molecular Formula
C₆H₈N₂O₂
Molecular Mass
140.13992
Exact Mass
140.05857751
Charge
0
InChI
InChI=1S/C6H8N2O2/c1-8-3-5(7-4-8)6(9)10-2/h3-4H,1-2H3
InChIKey
KZPZTVKOJSKVBV-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ncn(c1)C
Isomeric Smiles
O=C(c1cn(cn1)C)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.25507724
LogD (pH = 7.4)
0.26761645
Log P
0.26777914
Molar Refractivity
35.5628
Polarizability
13.394825
Polar Surface Area
44.12
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
No Data Available
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Molecule Details
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References
Bioactivity
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