Molecule

ID:43282

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈N₂O₄
Molecular Mass
278.30372
Exact Mass
278.12665707
Charge
0
InChI
InChI=1S/C14H18N2O4/c1-20-14(17)10-7-8-12(13(9-10)16(18)19)15-11-5-3-2-4-6-11/h7-9,11,15H,2-6H2,1H3
InChIKey
RKLPKKOKDXVKFJ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(c(c1)[N+](=O)[O-])NC1CCCCC1
Isomeric Smiles
c1(cc(ccc1NC1CCCCC1)C(=O)OC)[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
13.257686
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.8387556
LogD (pH = 7.4)
3.8387551
Log P
3.8387556
Molar Refractivity
76.616
Polarizability
28.11453
Polar Surface Area
84.15
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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