Molecule

ID:85712

General Information
Structure
MolImage
Molecular Formula
C₈H₆N₂O₂
Molecular Mass
162.14544
Exact Mass
162.04292744
Charge
0
InChI
InChI=1S/C8H6N2O2/c9-10-7(11)5-3-1-2-4-6(5)8(10)12/h1-4H,9H2
InChIKey
KSILMCDYDAKOJD-UHFFFAOYSA-N
Canonic Smiles
NN1C(=O)c2c(C1=O)cccc2
Isomeric Smiles
N1(C(=O)c2c(cccc2)C1=O)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.39687458
LogD (pH = 7.4)
0.39694643
Log P
0.39694735
Molar Refractivity
43.7989
Polarizability
15.594562
Polar Surface Area
63.4
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
No Data Available
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Molecule Details
References
Bioactivity
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