Molecule

ID:33984

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇N₃O₄
Molecular Mass
303.31318
Exact Mass
303.12190604
Charge
0
InChI
InChI=1S/C15H17N3O4/c1-2-22-15(19)11-4-3-7-17(10-11)14-6-5-13(18(20)21)8-12(14)9-16/h5-6,8,11H,2-4,7,10H2,1H3
InChIKey
CSEZEUWKFYKQJD-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCCN(C1)c1ccc(cc1C#N)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1cc(c(N2CC(C(=O)OCC)CCC2)cc1)C#N)[O-]
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
2.60909
LogD (pH = 7.4)
2.60909
Log P
2.60909
Molar Refractivity
81.2785
Polarizability
29.995531
Polar Surface Area
99.15
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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