Molecule

ID:20294

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂F₃NO₃
Molecular Mass
311.2558896
Exact Mass
311.07692791
Charge
0
InChI
InChI=1S/C15H12F3NO3/c1-21-14(20)9-3-2-4-10(7-9)22-11-5-6-13(19)12(8-11)15(16,17)18/h2-8H,19H2,1H3
InChIKey
ORYAOGNHYCREFT-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cccc(c1)Oc1ccc(c(c1)C(F)(F)F)N
Isomeric Smiles
c1(C(F)(F)F)c(ccc(c1)Oc1cc(C(=O)OC)ccc1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.5256693
LogD (pH = 7.4)
3.5259292
Log P
3.5259326
Molar Refractivity
74.9982
Polarizability
27.363806
Polar Surface Area
61.55
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