Molecule

ID:58343

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆N₂O₃
Molecular Mass
260.28844
Exact Mass
260.11609238
Charge
0
InChI
InChI=1S/C14H16N2O3/c1-14(2)8-11(7-13(17)9-14)15-10-4-3-5-12(6-10)16(18)19/h3-7,15H,8-9H2,1-2H3
InChIKey
AWQCYWVLVFABER-UHFFFAOYSA-N
Canonic Smiles
O=C1C=C(Nc2cccc(c2)[N+](=O)[O-])CC(C1)(C)C
Isomeric Smiles
C1C(CC(=CC1=O)Nc1cc(ccc1)[N+](=O)[O-])(C)C
Calculated Properties
JChem
Acid pKa
16.339369
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.6206157
LogD (pH = 7.4)
2.6206157
Log P
2.6206157
Molar Refractivity
75.7259
Polarizability
27.16966
Polar Surface Area
74.92
Rotatable Bonds
3
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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