Molecule

ID:94942

General Information
Structure
MolImage
Molecular Formula
C₈H₃BrF₃NO
Molecular Mass
266.0147296
Exact Mass
264.93501038
Charge
0
InChI
InChI=1S/C8H3BrF3NO/c9-6-1-5(4-13)2-7(3-6)14-8(10,11)12/h1-3H
InChIKey
PQPKERBGCBHRJO-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cc(cc(c1)Br)OC(F)(F)F
Isomeric Smiles
Brc1cc(cc(c1)OC(F)(F)F)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.0292063
LogD (pH = 7.4)
4.0292063
Log P
4.0292063
Molar Refractivity
42.4727
Polarizability
17.337915
Polar Surface Area
33.02
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