Molecule

ID:29986

General Information
Structure
MolImage
Molecular Formula
C₄H₂BrFN₂
Molecular Mass
176.9744832
Exact Mass
175.93853829
Charge
0
InChI
InChI=1S/C4H2BrFN2/c5-3-1-7-4(6)8-2-3/h1-2H
InChIKey
CTWZYPZCDJKBRS-UHFFFAOYSA-N
Canonic Smiles
Brc1cnc(nc1)F
Isomeric Smiles
c1(ncc(cn1)Br)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4394492
LogD (pH = 7.4)
1.4394492
Log P
1.4394492
Molar Refractivity
31.2087
Polarizability
11.453505
Polar Surface Area
25.78
Rotatable Bonds
0
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