Molecule

ID:43131

General Information
Structure
MolImage
Molecular Formula
C₁₃H₈F₃NO
Molecular Mass
251.2039296
Exact Mass
251.05579854
Charge
0
InChI
InChI=1S/C13H8F3NO/c14-13(15,16)11-2-1-7-17-12(11)10-5-3-9(8-18)4-6-10/h1-8H
InChIKey
NBWILOUASOAOPH-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)c1ncccc1C(F)(F)F
Isomeric Smiles
c1cnc(c(c1)C(F)(F)F)c1ccc(cc1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.3729718
LogD (pH = 7.4)
3.3789234
Log P
3.379
Molar Refractivity
61.223
Polarizability
23.25839
Polar Surface Area
29.96
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