Molecule

ID:47549

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀ClNO₅
Molecular Mass
329.776
Exact Mass
329.10300043
Charge
0
InChI
InChI=1S/C15H19NO5.ClH/c1-3-20-14(17)10-5-4-6-11(7-10)21-12-8-13(16-9-12)15(18)19-2;/h4-7,12-13,16H,3,8-9H2,1-2H3;1H/t12-,13-;/m0./s1
InChIKey
NOYRZYAGLBEXDE-QNTKWALQSA-N
Canonic Smiles
CCOC(=O)c1cccc(c1)O[C@@H]1CN[C@@H](C1)C(=O)OC.Cl
Isomeric Smiles
Cl.[C@@H]1(C[C@H](NC1)C(=O)OC)Oc1cccc(c1)C(=O)OCC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.5464669
LogD (pH = 7.4)
1.542762
Log P
1.5954915
Molar Refractivity
75.1851
Polarizability
29.918568
Polar Surface Area
73.86
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
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Molecule Details
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References
Bioactivity
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