Molecule

ID:105355

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO₄
Molecular Mass
265.30496
Exact Mass
265.13140809
Charge
0
InChI
InChI=1S/C14H19NO4/c1-9(16)19-14-12(15-8-13(14)17)7-10-3-5-11(18-2)6-4-10/h3-6,12-15,17H,7-8H2,1-2H3
InChIKey
YKJYKKNCCRKFSL-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CC1NCC(C1OC(=O)C)O
Isomeric Smiles
COc1ccc(CC2NCC(O)C2OC(=O)C)cc1
Calculated Properties
JChem
Acid pKa
13.766854
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.3863556
LogD (pH = 7.4)
-1.0800986
Log P
0.73128223
Molar Refractivity
69.3019
Polarizability
27.932943
Polar Surface Area
67.79
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation