Molecule

ID:92760

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₅NO₄
Molecular Mass
285.2946
Exact Mass
285.10010797
Charge
0
InChI
InChI=1S/C16H15NO4/c1-20-15-8-7-13(9-10-17(18)19)11-16(15)21-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3
InChIKey
JNMKPRLNICRRIV-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1OCc1ccccc1)/C=C/[N+](=O)[O-]
Isomeric Smiles
[N+](=O)([O-])/C=C/c1cc(c(cc1)OC)OCc1ccccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.5364785
LogD (pH = 7.4)
3.5364785
Log P
3.5364785
Molar Refractivity
79.5873
Polarizability
30.367392
Polar Surface Area
64.28
Rotatable Bonds
6
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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