Molecule

ID:65904

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇NO₂
Molecular Mass
173.16808
Exact Mass
173.04767847
Charge
0
InChI
InChI=1S/C10H7NO2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChIKey
ZJYJZEAJZXVAMF-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc2c(c1)cccc2
Isomeric Smiles
c1ccc2c(c1)cc(cc2)[N+](=O)[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
17.09
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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