Molecule

ID:84721

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆N₂O₄
Molecular Mass
276.28784
Exact Mass
276.111007
Charge
0
InChI
InChI=1S/C14H16N2O4/c1-20-14(17)7-5-11-4-6-12(13(10-11)16(18)19)15-8-2-3-9-15/h4-7,10H,2-3,8-9H2,1H3
InChIKey
XGPFOAPFJIMDRS-UHFFFAOYSA-N
Canonic Smiles
COC(=O)/C=C/c1ccc(c(c1)[N+](=O)[O-])N1CCCC1
Isomeric Smiles
[N+](=O)(c1c(ccc(c1)/C=C/C(=O)OC)N1CCCC1)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.9691217
LogD (pH = 7.4)
2.9691389
Log P
2.969139
Molar Refractivity
77.1233
Polarizability
27.962126
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
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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