Molecule

ID:43798

General Information
Structure
MolImage
Molecular Formula
C₉H₄Cl₂IN
Molecular Mass
323.94523
Exact Mass
322.87655249
Charge
0
InChI
InChI=1S/C9H4Cl2IN/c10-5-3-6-7(11)1-2-13-9(6)8(12)4-5/h1-4H
InChIKey
FKOSDCAERUFQBB-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(I)c2c(c1)c(Cl)ccn2
Isomeric Smiles
c12c(c(cc(c1)Cl)I)nccc2Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.267909
LogD (pH = 7.4)
4.267934
Log P
4.2679343
Molar Refractivity
62.9514
Polarizability
25.851595
Polar Surface Area
12.89
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
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Molecule Details
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References
Bioactivity
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