Molecule

ID:41949

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁BrF₃NO
Molecular Mass
346.1424496
Exact Mass
344.99761064
Charge
0
InChI
InChI=1S/C14H11BrF3NO/c1-8-7-12(13(20)14(16,17)18)9(2)19(8)11-5-3-10(15)4-6-11/h3-7H,1-2H3
InChIKey
VVIKNKIEZZBOOW-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(cc1)n1c(C)cc(c1C)C(=O)C(F)(F)F
Isomeric Smiles
c1(c(n(c(c1)C)c1ccc(cc1)Br)C)C(=O)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.8024
LogD (pH = 7.4)
3.8024
Log P
3.8024
Molar Refractivity
85.1456
Polarizability
27.753527
Polar Surface Area
22.0
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