Molecule

ID:87133

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉NO₂
Molecular Mass
187.19466
Exact Mass
187.06332853
Charge
0
InChI
InChI=1S/C11H9NO2/c1-8-6-7-9-4-2-3-5-10(9)11(8)12(13)14/h2-7H,1H3
InChIKey
IZNWACYOILBFEG-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1c(C)ccc2c1cccc2
Isomeric Smiles
[N+](=O)(c1c2c(ccc1C)cccc2)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4161282
LogD (pH = 7.4)
3.4161282
Log P
3.4161282
Molar Refractivity
53.8699
Polarizability
21.473341
Polar Surface Area
43.14
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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