Molecule
ID:78722
General Information
Molecular Formula
C₁₀H₁₁NO₄
Molecular Mass
209.19864
Exact Mass
209.06880784
Charge
0
InChI
InChI=1S/C10H11NO4/c1-3-15-10(12)8-6-7(2)4-5-9(8)11(13)14/h4-6H,3H2,1-2H3
InChIKey
UNTKSWGPXYYQGS-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc(C)ccc1[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1ccc(cc1C(=O)OCC)C)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.7869363
LogD (pH = 7.4)
2.7869363
Log P
2.7869363
Molar Refractivity
55.1978
Polarizability
20.279974
Polar Surface Area
72.12
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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