Molecule

ID:41144

General Information
Structure
MolImage
Molecular Formula
C₄H₂ClIN₂
Molecular Mass
240.42955
Exact Mass
239.89512375
Charge
0
InChI
InChI=1S/C4H2ClIN2/c5-3-1-2-4(6)8-7-3/h1-2H
InChIKey
PNEPCDPKMXJYIQ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(nn1)I
Isomeric Smiles
n1nc(Cl)ccc1I
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5615574
LogD (pH = 7.4)
1.5615574
Log P
1.5615574
Molar Refractivity
42.7011
Polarizability
16.058962
Polar Surface Area
25.78
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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