Molecule

ID:83382

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉NO₃
Molecular Mass
203.19406
Exact Mass
203.05824315
Charge
0
InChI
InChI=1S/C11H9NO3/c1-15-10-7-6-8-4-2-3-5-9(8)11(10)12(13)14/h2-7H,1H3
InChIKey
XDNSKIDXVJNJFO-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1[N+](=O)[O-])cccc2
Isomeric Smiles
[N+](=O)(c1c(ccc2ccccc12)OC)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.7450354
LogD (pH = 7.4)
2.7450354
Log P
2.7450354
Molar Refractivity
56.2961
Polarizability
22.211697
Polar Surface Area
55.05
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
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Molecule Details
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References
Bioactivity
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