Molecule

ID:98734

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂F₃NO₃
Molecular Mass
311.2558896
Exact Mass
311.07692791
Charge
0
InChI
InChI=1S/C15H12F3NO3/c1-2-21-14(20)10-3-6-12(7-4-10)22-13-8-5-11(9-19-13)15(16,17)18/h3-9H,2H2,1H3
InChIKey
RYRGALDFZNYCNC-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(cc1)Oc1ccc(cn1)C(F)(F)F
Isomeric Smiles
n1c(ccc(c1)C(F)(F)F)Oc1ccc(cc1)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.0884433
LogD (pH = 7.4)
4.0884514
Log P
4.0884514
Molar Refractivity
73.203
Polarizability
27.188078
Polar Surface Area
48.42
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