Molecule

ID:78452

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇NO₂
Molecular Mass
173.16808
Exact Mass
173.04767847
Charge
0
InChI
InChI=1S/C10H7NO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKey
RJKGJBPXVHTNJL-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cccc2c1cccc2
Isomeric Smiles
[N+](=O)(c1cccc2ccccc12)[O-]
Calculated Properties
JChem
LogD (pH = 7.4)
2.90
LogD (pH = 5.5)
2.90
Log P
2.90
Rotatable Bonds
1
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Polar Surface Area
43.14
Polarizability
16.94
Molar Refractivity
48.83
LOG S
-4.01
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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