Molecule

ID:95223

General Information
Structure
MolImage
Molecular Formula
C₉H₈BrF₂NO
Molecular Mass
264.0667264
Exact Mass
262.97573232
Charge
0
InChI
InChI=1S/C9H8BrF2NO/c1-5(10)9(14)13-8-6(11)3-2-4-7(8)12/h2-5H,1H3,(H,13,14)
InChIKey
QXVRLWPJFYXSJC-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)Nc1c(F)cccc1F)Br
Isomeric Smiles
N(c1c(cccc1F)F)C(=O)C(Br)C
Calculated Properties
JChem
Acid pKa
10.406749
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.7879581
LogD (pH = 7.4)
2.7875574
Log P
2.7879634
Molar Refractivity
53.5844
Polarizability
19.48903
Polar Surface Area
29.1
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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