Molecule

ID:88972

General Information
Structure
MolImage
Molecular Formula
C₆H₈N₂O₂
Molecular Mass
140.13992
Exact Mass
140.05857751
Charge
0
InChI
InChI=1S/C6H8N2O2/c1-8-4-7-3-5(8)6(9)10-2/h3-4H,1-2H3
InChIKey
AKDPLDCXQNEMCL-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cncn1C
Isomeric Smiles
n1cn(C)c(c1)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.03964807
LogD (pH = 7.4)
0.0013615004
Log P
0.0019299464
Molar Refractivity
35.8123
Polarizability
13.392478
Polar Surface Area
44.12
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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