Molecule

ID:20227

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄F₃NO₂
Molecular Mass
297.2723696
Exact Mass
297.09766335
Charge
0
InChI
InChI=1S/C15H14F3NO2/c1-2-20-11-4-6-12(7-5-11)21-14-8-3-10(19)9-13(14)15(16,17)18/h3-9H,2,19H2,1H3
InChIKey
RQWPAVRGRDSFOU-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)Oc1ccc(cc1C(F)(F)F)N
Isomeric Smiles
c1(C(F)(F)F)c(Oc2ccc(cc2)OCC)ccc(c1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.7183704
LogD (pH = 7.4)
3.7215514
Log P
3.7215922
Molar Refractivity
74.1847
Polarizability
27.213917
Polar Surface Area
44.48
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