Molecule

ID:32991

General Information
Structure
MolImage
Molecular Formula
C₅H₂Cl₂IN
Molecular Mass
273.88655
Exact Mass
272.86090243
Charge
0
InChI
InChI=1S/C5H2Cl2IN/c6-4-3(8)1-2-9-5(4)7/h1-2H
InChIKey
WRPBPDPXVUBWCR-UHFFFAOYSA-N
Canonic Smiles
Clc1c(I)ccnc1Cl
Isomeric Smiles
c1(c(nccc1I)Cl)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
18.769714
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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