Molecule

ID:20240

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₂F₃NO
Molecular Mass
303.2784896
Exact Mass
303.08709867
Charge
0
InChI
InChI=1S/C17H12F3NO/c18-17(19,20)14-10-12(21)8-9-16(14)22-15-7-3-5-11-4-1-2-6-13(11)15/h1-10H,21H2
InChIKey
JTNOIBIMLHDNLF-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)C(F)(F)F)Oc1cccc2c1cccc2
Isomeric Smiles
c1(C(F)(F)F)c(Oc2c3c(ccc2)cccc3)ccc(c1)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.507298
LogD (pH = 7.4)
4.5118737
Log P
4.5119324
Molar Refractivity
79.4231
Polarizability
30.210974
Polar Surface Area
35.25
Rotatable Bonds
3
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