Molecule

ID:85556

General Information
Structure
Molecular Formula
C₁₉H₁₉NO₃
Molecular Mass
309.35906
Exact Mass
309.13649347
Charge
0
InChI
InChI=1S/C19H19NO3/c1-14(2)12-16-6-9-17(10-7-16)19(21)11-8-15-4-3-5-18(13-15)20(22)23/h3-11,13-14H,12H2,1-2H3
InChIKey
FCKXLIVUBCYENE-UHFFFAOYSA-N
Canonic Smiles
CC(Cc1ccc(cc1)C(=O)/C=C/c1cccc(c1)[N+](=O)[O-])C
Isomeric Smiles
[N+](=O)(c1cccc(c1)/C=C/C(=O)c1ccc(cc1)CC(C)C)[O-]
Calculated Properties
JChem
Acid pKa
16.637033
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.5198874
LogD (pH = 7.4)
5.5198874
Log P
5.5198874
Molar Refractivity
92.9935
Polarizability
34.473286
Polar Surface Area
62.89
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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