Molecule

ID:84716

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈N₂O₄
Molecular Mass
290.31442
Exact Mass
290.12665707
Charge
0
InChI
InChI=1S/C15H18N2O4/c1-21-15(18)8-6-12-5-7-13(14(11-12)17(19)20)16-9-3-2-4-10-16/h5-8,11H,2-4,9-10H2,1H3
InChIKey
RFFDBKLGIPRZHJ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)/C=C/c1ccc(c(c1)[N+](=O)[O-])N1CCCCC1
Isomeric Smiles
[N+](=O)(c1c(ccc(c1)/C=C/C(=O)OC)N1CCCCC1)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.4136555
LogD (pH = 7.4)
3.4137073
Log P
3.4137077
Molar Refractivity
81.7243
Polarizability
29.795229
Polar Surface Area
75.36
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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