Molecule

ID:21343

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO₄
Molecular Mass
265.30496
Exact Mass
265.13140809
Charge
0
InChI
InChI=1S/C14H19NO4/c1-9-4-5-12(13(6-9)17-2)19-10-7-11(15-8-10)14(16)18-3/h4-6,10-11,15H,7-8H2,1-3H3/t10?,11-/m0/s1
InChIKey
SFXLUQBUDKOSGH-DTIOYNMSSA-N
Canonic Smiles
COC(=O)[C@H]1NCC(C1)Oc1ccc(cc1OC)C
Isomeric Smiles
N1[C@H](C(=O)OC)CC(Oc2c(cc(cc2)C)OC)C1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.5384565
LogD (pH = 7.4)
1.5377868
Log P
1.5909568
Molar Refractivity
69.9156
Polarizability
27.91595
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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