Molecule

ID:41697

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈N₂O₄
Molecular Mass
278.30372
Exact Mass
278.12665707
Charge
0
InChI
InChI=1S/C14H18N2O4/c1-2-20-14(17)11-7-9-15(10-8-11)12-3-5-13(6-4-12)16(18)19/h3-6,11H,2,7-10H2,1H3
InChIKey
DYEIOUCEYOYBPG-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
c1cc(ccc1[N+](=O)[O-])N1CCC(CC1)C(=O)OCC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.5970638
LogD (pH = 7.4)
2.5970862
Log P
2.5970864
Molar Refractivity
75.7109
Polarizability
28.139965
Polar Surface Area
75.36
Rotatable Bonds
5
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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