Molecule

ID:91155

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉NO₃
Molecular Mass
215.20476
Exact Mass
215.05824315
Charge
0
InChI
InChI=1S/C12H9NO3/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H
InChIKey
JDTMUJBWSGNMGR-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(cc1)Oc1ccccc1
Isomeric Smiles
O(c1ccccc1)c1ccc(cc1)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4135172
LogD (pH = 7.4)
3.4135172
Log P
3.4135172
Molar Refractivity
58.6193
Polarizability
22.51194
Polar Surface Area
52.37
Rotatable Bonds
3
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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