Molecule

ID:73506

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂O₃
Molecular Mass
272.29914
Exact Mass
272.11609238
Charge
0
InChI
InChI=1S/C15H16N2O3/c1-15(2,3)11-6-8-12(9-7-11)20-14-13(17(18)19)5-4-10-16-14/h4-10H,1-3H3
InChIKey
MJZIDMSWDQRTCV-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cccnc1Oc1ccc(cc1)C(C)(C)C
Isomeric Smiles
n1c(c(ccc1)[N+](=O)[O-])Oc1ccc(cc1)C(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.3353586
LogD (pH = 7.4)
4.3353586
Log P
4.3353586
Molar Refractivity
76.446
Polarizability
28.912687
Polar Surface Area
67.94
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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