Molecule

ID:8150

General Information
Structure
MolImage
Molecular Formula
C₇H₄F₃NO
Molecular Mass
175.1079696
Exact Mass
175.02449841
Charge
0
InChI
InChI=1S/C7H4F3NO/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2H,(H2,11,12)
InChIKey
XGOGYOBKQVLGAY-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1ccc(c(c1F)F)F
Isomeric Smiles
c1c(C(=O)N)c(F)c(F)c(c1)F
Calculated Properties
JChem
Acid pKa
12.135014
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.251992
LogD (pH = 7.4)
1.251999
Log P
1.2519919
Molar Refractivity
35.7856
Polarizability
12.609395
Polar Surface Area
43.09
Rotatable Bonds
1
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