Molecule

ID:97245

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀F₃NO
Molecular Mass
253.2198096
Exact Mass
253.07144861
Charge
0
InChI
InChI=1S/C13H10F3NO/c14-13(15,16)18-12-8-4-2-6-10(12)9-5-1-3-7-11(9)17/h1-8H,17H2
InChIKey
AYVFXUXDUIPECW-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1c1ccccc1OC(F)(F)F
Isomeric Smiles
O(c1ccccc1c1ccccc1N)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.2202015
LogD (pH = 7.4)
4.2226257
Log P
4.2226567
Molar Refractivity
58.9649
Polarizability
24.064898
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