Molecule

ID:29753

General Information
Structure
MolImage
Molecular Formula
C₇H₄F₃NO
Molecular Mass
175.1079696
Exact Mass
175.02449841
Charge
0
InChI
InChI=1S/C7H4F3NO/c8-7(9,10)5-1-2-6(4-12)11-3-5/h1-4H
InChIKey
JJDDVGAESNBKMY-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cn1)C(F)(F)F
Isomeric Smiles
c1(ccc(cn1)C(F)(F)F)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.020125
LogD (pH = 7.4)
2.020463
Log P
2.0204673
Molar Refractivity
36.0736
Polarizability
12.700846
Polar Surface Area
29.96
Rotatable Bonds
2
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