Molecule

ID:69287

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₃NO₄
Molecular Mass
305.36882
Exact Mass
305.16270822
Charge
0
InChI
InChI=1S/C17H23NO4/c1-2-21-16(19)12-14-8-10-18(11-9-14)17(20)22-13-15-6-4-3-5-7-15/h3-7,14H,2,8-13H2,1H3
InChIKey
SULSTAOSZUXHPL-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CC1CCN(CC1)C(=O)OCc1ccccc1
Isomeric Smiles
N1(CCC(CC1)CC(=O)OCC)C(=O)OCc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.525242
LogD (pH = 7.4)
2.525242
Log P
2.525242
Molar Refractivity
82.9702
Polarizability
32.52999
Polar Surface Area
55.84
Rotatable Bonds
7
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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