Molecule

ID:91065

General Information
Structure
MolImage
Molecular Formula
C₁₂H₄N₂O₂
Molecular Mass
208.17236
Exact Mass
208.02727738
Charge
0
InChI
InChI=1S/C12H4N2O2/c13-5-7(6-14)10-11(15)8-3-1-2-4-9(8)12(10)16/h1-4H
InChIKey
WQFLMIPTYDGFOB-UHFFFAOYSA-N
Canonic Smiles
N#CC(=C1C(=O)c2c(C1=O)cccc2)C#N
Isomeric Smiles
O=C1c2c(cccc2)C(=O)C1=C(C#N)C#N
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.1180352
LogD (pH = 7.4)
1.1180352
Log P
1.1180352
Molar Refractivity
56.2904
Polarizability
20.2245
Polar Surface Area
81.72
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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