Molecule

ID:52675

General Information
Structure
MolImage
Molecular Formula
C₅H₂Cl₂IN
Molecular Mass
273.88655
Exact Mass
272.86090243
Charge
0
InChI
InChI=1S/C5H2Cl2IN/c6-3-1-2-9-5(7)4(3)8/h1-2H
InChIKey
OKXJLNYZTJLVJZ-UHFFFAOYSA-N
Canonic Smiles
Ic1c(Cl)ccnc1Cl
Isomeric Smiles
c1cnc(c(c1Cl)I)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1127844
LogD (pH = 7.4)
3.1127844
Log P
3.1127844
Molar Refractivity
47.9345
Polarizability
18.758131
Polar Surface Area
12.89
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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