Molecule

ID:65647

General Information
Structure
MolImage
Molecular Formula
C₅H₄ClIN₂
Molecular Mass
254.45613
Exact Mass
253.91077382
Charge
0
InChI
InChI=1S/C5H4ClIN2/c6-3-1-5(8)9-2-4(3)7/h1-2H,(H2,8,9)
InChIKey
MBEBQNFNTISDFJ-UHFFFAOYSA-N
Canonic Smiles
Nc1ncc(c(c1)Cl)I
Isomeric Smiles
c1c(ncc(c1Cl)I)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.0361564
LogD (pH = 7.4)
2.0538633
Log P
2.054094
Molar Refractivity
47.0823
Polarizability
17.859837
Polar Surface Area
38.91
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