Molecule

ID:72270

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅F₃N₂O
Molecular Mass
296.2876096
Exact Mass
296.11364777
Charge
0
InChI
InChI=1S/C15H15F3N2O/c1-21-12-5-2-10(3-6-12)9-20-14-7-4-11(8-13(14)19)15(16,17)18/h2-8,20H,9,19H2,1H3
InChIKey
RVIJENAVOXRMNZ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CNc1ccc(cc1N)C(F)(F)F
Isomeric Smiles
C(c1cc(c(NCc2ccc(cc2)OC)cc1)N)(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.0500562
LogD (pH = 7.4)
3.0615993
Log P
3.0617483
Molar Refractivity
78.0017
Polarizability
27.590689
Polar Surface Area
47.28
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