Molecule

ID:22151

General Information
Structure
Molecular Formula
C₁₅H₂₀N₂O₄
Molecular Mass
292.3303
Exact Mass
292.14230713
Charge
0
InChI
InChI=1S/C15H20N2O4/c1-2-21-15(18)12-7-8-13(14(11-12)17(19)20)16-9-5-3-4-6-10-16/h7-8,11H,2-6,9-10H2,1H3
InChIKey
IIVYEGMLNKSGBO-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCCCCC1
Isomeric Smiles
c1(ccc(c(c1)[N+](=O)[O-])N1CCCCCC1)C(=O)OCC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.6764896
LogD (pH = 7.4)
3.6764936
Log P
3.6764936
Molar Refractivity
81.3282
Polarizability
29.945755
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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