Molecule

ID:79612

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈N₂O₂
Molecular Mass
188.18272
Exact Mass
188.05857751
Charge
0
InChI
InChI=1S/C10H8N2O2/c1-7-4-5-9-8(3-2-6-11-9)10(7)12(13)14/h2-6H,1H3
InChIKey
CENBTULRDDPOGR-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1c(C)ccc2c1cccn2
Isomeric Smiles
[N+](=O)(c1c(ccc2ncccc12)C)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.5842023
LogD (pH = 7.4)
2.5843048
Log P
2.584306
Molar Refractivity
51.341
Polarizability
20.569065
Polar Surface Area
56.03
Rotatable Bonds
1
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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