Molecule

ID:35646

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉NO₅
Molecular Mass
293.31506
Exact Mass
293.12632271
Charge
0
InChI
InChI=1S/C15H19NO5/c1-20-12-4-3-10(7-13(12)21-2)5-6-16-9-11(15(18)19)8-14(16)17/h3-4,7,11H,5-6,8-9H2,1-2H3,(H,18,19)
InChIKey
LENAMXSEAKOBKB-UHFFFAOYSA-N
Canonic Smiles
COc1cc(CCN2CC(CC2=O)C(=O)O)ccc1OC
Isomeric Smiles
N1(C(=O)CC(C1)C(=O)O)CCc1cc(c(cc1)OC)OC
Calculated Properties
Provided by Enamine
CLogP
1.65
H Donor
1
Polar Surface Area
76.07
Rotatable Bonds
6
JChem
Log P
0.72
LogD (pH = 7.4)
-2.53
LogD (pH = 5.5)
-0.96
Rotatable Bonds
6
H Donor
1
H Acceptors
5
Polar Surface Area
76.07
Molar Refractivity
75
Polarizability
30.49
Acid pKa
3.82
Lipinski's Rule of Five
true
LOG S
-1.72
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
暂无数据
点击上传数据
References
Bioactivity
Navigation