Molecule

ID:21292

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇NO₄
Molecular Mass
251.27838
Exact Mass
251.11575803
Charge
0
InChI
InChI=1S/C13H17NO4/c1-16-11-5-3-4-6-12(11)18-9-7-10(14-8-9)13(15)17-2/h3-6,9-10,14H,7-8H2,1-2H3/t9?,10-/m0/s1
InChIKey
AXXPCKLMQBDHFL-AXDSSHIGSA-N
Canonic Smiles
COC(=O)[C@H]1NCC(C1)Oc1ccccc1OC
Isomeric Smiles
N1[C@H](C(=O)OC)CC(Oc2c(OC)cccc2)C1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.035800904
LogD (pH = 7.4)
1.0257196
Log P
1.0775354
Molar Refractivity
64.8744
Polarizability
26.155975
Polar Surface Area
56.79
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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