Molecule

ID:126155

General Information
Structure
MolImage
Molecular Formula
C₆H₄N₂O₂
Molecular Mass
136.10816
Exact Mass
136.02727738
Charge
0
InChI
InChI=1S/C6H4N2O2/c9-5-1-3-7-4-2-6(10)8(5)7/h1-4H
InChIKey
DOYVLWSSQKOKHQ-UHFFFAOYSA-N
Canonic Smiles
O=c1ccn2n1c(=O)cc2
Isomeric Smiles
O=c1ccn2n1c(=O)cc2
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.5798686
LogD (pH = 7.4)
-0.5798686
Log P
-0.57986856
Molar Refractivity
33.8534
Polarizability
12.341281
Polar Surface Area
40.62
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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