Molecule

ID:13928

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₅NO₄
Molecular Mass
297.3053
Exact Mass
297.10010797
Charge
0
InChI
InChI=1S/C17H15NO4/c19-15(10-11-16(20)21)18-14-8-6-13(7-9-14)17(22)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19)(H,20,21)
InChIKey
VUMNTRNMHOFCKA-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCC(=O)Nc1ccc(cc1)C(=O)c1ccccc1
Isomeric Smiles
c1(C(=O)c2ccccc2)ccc(cc1)NC(=O)CCC(=O)O
Calculated Properties
JChem
Acid pKa
3.8834472
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.87351817
LogD (pH = 7.4)
-0.72689265
Log P
2.495172
Molar Refractivity
82.3898
Polarizability
31.057594
Polar Surface Area
83.47
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