Molecule

ID:44273

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅BrFNO₂
Molecular Mass
270.0546032
Exact Mass
268.94876863
Charge
0
InChI
InChI=1S/C10H5BrFNO2/c11-6-1-2-8(7(12)5-6)13-9(14)3-4-10(13)15/h1-5H
InChIKey
UZVMHIFRABEFJC-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(c(c1)F)N1C(=O)C=CC1=O
Isomeric Smiles
N1(c2c(cc(cc2)Br)F)C(=O)C=CC1=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1571856
LogD (pH = 7.4)
2.157186
Log P
2.1571863
Molar Refractivity
55.8649
Polarizability
20.729073
Polar Surface Area
37.38
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