Molecule

ID:108851

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉NO₃
Molecular Mass
237.29486
Exact Mass
237.13649347
Charge
0
InChI
InChI=1S/C13H19NO3/c1-5-14(6-2)13(15)10-8-7-9-11(16-3)12(10)17-4/h7-9H,5-6H2,1-4H3
InChIKey
SUSWIGCCIPLSLE-UHFFFAOYSA-N
Canonic Smiles
CCN(C(=O)c1cccc(c1OC)OC)CC
Isomeric Smiles
CCN(CC)C(=O)c1cccc(OC)c1OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.6695113
LogD (pH = 7.4)
1.6695117
Log P
1.6695117
Molar Refractivity
67.3534
Polarizability
25.569487
Polar Surface Area
38.77
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation