Molecule

ID:85678

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₅NO₄
Molecular Mass
297.3053
Exact Mass
297.10010797
Charge
0
InChI
InChI=1S/C17H15NO4/c1-2-21-17(20)22-18-15(13-9-5-3-6-10-13)16(19)14-11-7-4-8-12-14/h3-12H,2H2,1H3
InChIKey
OCLNYWSLIPQUJX-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)O/N=C(/C(=O)c1ccccc1)\c1ccccc1
Isomeric Smiles
N(=C(\c1ccccc1)/C(=O)c1ccccc1)\OC(=O)OCC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.373198
LogD (pH = 7.4)
4.3731985
Log P
4.3731985
Molar Refractivity
81.4182
Polarizability
31.349733
Polar Surface Area
64.96
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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