Molecule

ID:45046

General Information
Structure
MolImage
Molecular Formula
C₅H₃Cl₂IN₂
Molecular Mass
288.90119
Exact Mass
287.87180147
Charge
0
InChI
InChI=1S/C5H3Cl2IN2/c6-4-3(1-8)2-9-5(7)10-4/h2H,1H2
InChIKey
NEIMQFSSWKAYTR-UHFFFAOYSA-N
Canonic Smiles
ICc1cnc(nc1Cl)Cl
Isomeric Smiles
n1c(c(cnc1Cl)CI)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9855227
LogD (pH = 7.4)
2.9855227
Log P
2.9855227
Molar Refractivity
52.1861
Polarizability
19.713625
Polar Surface Area
25.78
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