Molecule

ID:116742

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₉NO₃
Molecular Mass
309.35906
Exact Mass
309.13649347
Charge
0
InChI
InChI=1S/C19H19NO3/c1-2-23-18(22)19(12-14-8-4-3-5-9-14)13-15-10-6-7-11-16(15)20-17(19)21/h3-11H,2,12-13H2,1H3,(H,20,21)
InChIKey
AXKAHHVMEDTOBZ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1(Cc2ccccc2)Cc2ccccc2NC1=O
Isomeric Smiles
C1(C(=O)Nc2c(C1)cccc2)(C(=O)OCC)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
13.152337
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.8883867
LogD (pH = 7.4)
3.888386
Log P
3.8883867
Molar Refractivity
89.1923
Polarizability
34.041718
Polar Surface Area
55.4
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
暂无数据
点击上传数据
References
Bioactivity
Navigation