Molecule

ID:21332

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO₄
Molecular Mass
265.30496
Exact Mass
265.13140809
Charge
0
InChI
InChI=1S/C14H19NO4/c1-3-18-10-4-6-11(7-5-10)19-12-8-13(15-9-12)14(16)17-2/h4-7,12-13,15H,3,8-9H2,1-2H3/t12-,13-/m0/s1
InChIKey
RIRSMAHRMWAEMN-STQMWFEESA-N
Canonic Smiles
CCOc1ccc(cc1)O[C@@H]1CN[C@@H](C1)C(=O)OC
Isomeric Smiles
N1[C@H](C(=O)OC)C[C@H](Oc2ccc(cc2)OCC)C1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.3493656
LogD (pH = 7.4)
1.3769037
Log P
1.4343433
Molar Refractivity
69.623
Polarizability
27.989164
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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