Molecule

ID:60161

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₀N₂O₅
Molecular Mass
356.3725
Exact Mass
356.13722175
Charge
0
InChI
InChI=1S/C19H20N2O5/c1-25-17-10-14-7-8-20(12-15(14)11-18(17)26-2)19(22)9-13-3-5-16(6-4-13)21(23)24/h3-6,10-11H,7-9,12H2,1-2H3
InChIKey
LOSARNASPVXQAZ-UHFFFAOYSA-N
Canonic Smiles
COc1cc2CN(CCc2cc1OC)C(=O)Cc1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
c1(c(cc2c(c1)CCN(C2)C(=O)Cc1ccc(cc1)[N+](=O)[O-])OC)OC
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
2.6404068
LogD (pH = 7.4)
2.6404068
Log P
2.6404068
Molar Refractivity
97.1545
Polarizability
36.527016
Polar Surface Area
84.59
Rotatable Bonds
5
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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