Molecule

ID:21333

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁NO₄
Molecular Mass
279.33154
Exact Mass
279.14705816
Charge
0
InChI
InChI=1S/C15H21NO4/c1-3-8-19-11-4-6-12(7-5-11)20-13-9-14(16-10-13)15(17)18-2/h4-7,13-14,16H,3,8-10H2,1-2H3/t13-,14-/m0/s1
InChIKey
DEUPLLCNEPLVHI-KBPBESRZSA-N
Canonic Smiles
CCCOc1ccc(cc1)O[C@@H]1CN[C@@H](C1)C(=O)OC
Isomeric Smiles
N1[C@H](C(=O)OC)C[C@H](Oc2ccc(cc2)OCCC)C1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.87191373
LogD (pH = 7.4)
1.8994296
Log P
1.9568658
Molar Refractivity
74.147
Polarizability
29.826086
Polar Surface Area
56.79
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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