Molecule

ID:97756

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₅F₃N₂O₄
Molecular Mass
368.3072096
Exact Mass
368.09839163
Charge
0
InChI
InChI=1S/C17H15F3N2O4/c1-2-25-15(23)10-14-13(4-3-9-21-14)16(24)22-11-5-7-12(8-6-11)26-17(18,19)20/h3-9H,2,10H2,1H3,(H,22,24)
InChIKey
DPESQYWBICPDAA-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)Cc1ncccc1C(=O)Nc1ccc(cc1)OC(F)(F)F
Isomeric Smiles
n1c(c(ccc1)C(=O)Nc1ccc(cc1)OC(F)(F)F)CC(=O)OCC
Calculated Properties
JChem
Acid pKa
11.120293
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.8041904
LogD (pH = 7.4)
3.8047833
Log P
3.8048704
Molar Refractivity
82.9582
Polarizability
32.10325
Polar Surface Area
77.52
Rotatable Bonds
8
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