Molecule

ID:44264

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂O₃
Molecular Mass
220.22458
Exact Mass
220.08479225
Charge
0
InChI
InChI=1S/C11H12N2O3/c14-8-9-7-10(13(15)16)3-4-11(9)12-5-1-2-6-12/h3-4,7-8H,1-2,5-6H2
InChIKey
FSYPVHLPBAAKIU-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(ccc1N1CCCC1)[N+](=O)[O-]
Isomeric Smiles
c1cc(cc(c1N1CCCC1)C=O)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.1395736
LogD (pH = 7.4)
2.1395736
Log P
2.1395736
Molar Refractivity
61.9363
Polarizability
21.898792
Polar Surface Area
66.13
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
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References
Bioactivity
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