Molecule

ID:131942

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉NO₄
Molecular Mass
289.32636
Exact Mass
289.13140809
Charge
0
InChI
InChI=1S/C16H19NO4/c1-20-16(19)14-12-8-7-11(17-12)9-13(14)21-15(18)10-5-3-2-4-6-10/h2-6,11-14,17H,7-9H2,1H3/t11-,12+,13-,14+/m0/s1
InChIKey
AYDBLCSLKNTEJL-RFQIPJPRSA-N
Canonic Smiles
COC(=O)[C@H]1[C@H]2CC[C@H](N2)C[C@@H]1OC(=O)c1ccccc1
Isomeric Smiles
COC(=O)[C@H]1[C@H]2CC[C@H](N2)C[C@@H]1OC(=O)c1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.3176824
LogD (pH = 7.4)
-0.58344674
Log P
1.8990601
Molar Refractivity
75.8657
Polarizability
30.330688
Polar Surface Area
64.63
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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