Molecule

ID:81235

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂O₃
Molecular Mass
220.22458
Exact Mass
220.08479225
Charge
0
InChI
InChI=1S/C11H12N2O3/c1-12(2)7-9(8-14)10-5-3-4-6-11(10)13(15)16/h3-8H,1-2H3
InChIKey
PSNHGTBTKGIRRS-UHFFFAOYSA-N
Canonic Smiles
O=C/C(=C\N(C)C)/c1ccccc1[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1ccccc1/C(=C/N(C)C)/C=O)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.4209421
LogD (pH = 7.4)
1.5681969
Log P
1.570438
Molar Refractivity
61.8473
Polarizability
22.44975
Polar Surface Area
66.13
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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