Molecule

ID:21293

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO₄
Molecular Mass
265.30496
Exact Mass
265.13140809
Charge
0
InChI
InChI=1S/C14H19NO4/c1-3-18-12-6-4-5-7-13(12)19-10-8-11(15-9-10)14(16)17-2/h4-7,10-11,15H,3,8-9H2,1-2H3/t10?,11-/m0/s1
InChIKey
RAIYCDJCJUIFJH-DTIOYNMSSA-N
Canonic Smiles
CCOc1ccccc1OC1CN[C@@H](C1)C(=O)OC
Isomeric Smiles
N1[C@H](C(=O)OC)CC(Oc2c(OCC)cccc2)C1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.39299303
LogD (pH = 7.4)
1.3825754
Log P
1.4343433
Molar Refractivity
69.623
Polarizability
27.991564
Polar Surface Area
56.79
Rotatable Bonds
6
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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