Molecule

ID:95286

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀F₃NO
Molecular Mass
241.2091096
Exact Mass
241.07144861
Charge
0
InChI
InChI=1S/C12H10F3NO/c1-17-11-5-4-9(12(13,14)15)8-10(11)16-6-2-3-7-16/h2-8H,1H3
InChIKey
ZMNZWMUWFNFGAL-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1n1cccc1)C(F)(F)F
Isomeric Smiles
n1(c2cc(ccc2OC)C(F)(F)F)cccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1919
LogD (pH = 7.4)
3.1919
Log P
3.1919
Molar Refractivity
68.2473
Polarizability
21.85975
Polar Surface Area
14.16
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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