Molecule

ID:53571

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅NO₄
Molecular Mass
237.2518
Exact Mass
237.10010797
Charge
0
InChI
InChI=1S/C12H15NO4/c1-3-8-17-11-5-4-10(6-7-13(14)15)9-12(11)16-2/h4-7,9H,3,8H2,1-2H3/b7-6+
InChIKey
QWOHBYDMJLFLNY-VOTSOKGWSA-N
Canonic Smiles
CCCOc1ccc(cc1OC)/C=C/[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(/C=C/c1cc(c(cc1)OCCC)OC)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.691336
LogD (pH = 7.4)
2.691336
Log P
2.691336
Molar Refractivity
64.2473
Polarizability
24.481024
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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