Molecule

ID:44838

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₉NO₄
Molecular Mass
347.44856
Exact Mass
347.20965841
Charge
0
InChI
InChI=1S/C20H29NO4/c1-5-24-17(22)20(14-16-10-7-6-8-11-16)12-9-13-21(15-20)18(23)25-19(2,3)4/h6-8,10-11H,5,9,12-15H2,1-4H3
InChIKey
ZTGGNYIHGLOCJH-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1(CCCN(C1)C(=O)OC(C)(C)C)Cc1ccccc1
Isomeric Smiles
C1CC(CN(C1)C(=O)OC(C)(C)C)(C(=O)OCC)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.9564216
LogD (pH = 7.4)
3.9564216
Log P
3.9564216
Molar Refractivity
96.6311
Polarizability
38.049126
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
No Data Available
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Molecule Details
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References
Bioactivity
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