Molecule

ID:109618

General Information
Structure
MolImage
Molecular Formula
C₈H₉NO₂
Molecular Mass
151.16256
Exact Mass
151.06332853
Charge
0
InChI
InChI=1S/C8H9NO2/c1-2-7-5-3-4-6-8(7)9(10)11/h3-6H,2H2,1H3
InChIKey
PXWYZLWEKCMTEZ-UHFFFAOYSA-N
Canonic Smiles
CCc1ccccc1[N+](=O)[O-]
Isomeric Smiles
CCc1ccccc1[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.87122
LogD (pH = 7.4)
2.87122
Log P
2.87122
Molar Refractivity
43.0249
Polarizability
15.796223
Polar Surface Area
45.82
Rotatable Bonds
2
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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