Molecule

ID:35227

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉NO₄
Molecular Mass
301.33706
Exact Mass
301.13140809
Charge
0
InChI
InChI=1S/C17H19NO4/c1-4-22-17(21)15-11(2)16(13-8-6-5-7-9-13)18(12(15)3)10-14(19)20/h5-9H,4,10H2,1-3H3,(H,19,20)
InChIKey
VUVFGHPEUSMUMX-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(C)n(c(c1C)c1ccccc1)CC(=O)O
Isomeric Smiles
c1(c(n(c(c1C)c1ccccc1)CC(=O)O)C)C(=O)OCC
Calculated Properties
JChem
Acid pKa
4.182308
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.0598402
LogD (pH = 7.4)
0.34986734
Log P
3.3952835
Molar Refractivity
83.7766
Polarizability
32.95434
Polar Surface Area
68.53
Rotatable Bonds
6
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
暂无数据
点击上传数据
References
Bioactivity
Navigation