Molecule

ID:85526

General Information
Structure
Molecular Formula
C₁₀H₁₁NO₄
Molecular Mass
209.19864
Exact Mass
209.06880784
Charge
0
InChI
InChI=1S/C10H11NO4/c1-14-9-5-8(3-4-11(12)13)6-10(7-9)15-2/h3-7H,1-2H3
InChIKey
LIROLLNTVLAPGP-UHFFFAOYSA-N
Canonic Smiles
COc1cc(/C=C/[N+](=O)[O-])cc(c1)OC
Isomeric Smiles
[N+](=O)(/C=C/c1cc(cc(c1)OC)OC)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.8120055
LogD (pH = 7.4)
1.8120055
Log P
1.8120055
Molar Refractivity
54.9747
Polarizability
20.815283
Polar Surface Area
64.28
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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