Molecule

ID:128921

General Information
Structure
MolImage
Molecular Formula
C₉H₉NO₂
Molecular Mass
163.17326
Exact Mass
163.06332853
Charge
0
InChI
InChI=1S/C9H9NO2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-7H,1H3
InChIKey
WGSVFWFSJDAYBM-UHFFFAOYSA-N
Canonic Smiles
C/C(=C\c1ccccc1)/[N+](=O)[O-]
Isomeric Smiles
[O-][N+](=O)/C(=C/c1ccccc1)/C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2089875
LogD (pH = 7.4)
2.2089875
Log P
2.2089875
Molar Refractivity
46.8632
Polarizability
17.579624
Polar Surface Area
43.14
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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