Molecule

ID:23748

General Information
Structure
MolImage
Molecular Formula
C₆H₆Cl₂IN
Molecular Mass
289.92901
Exact Mass
288.89220256
Charge
0
InChI
InChI=1S/C6H5ClIN.ClH/c7-2-5-1-6(8)4-9-3-5;/h1,3-4H,2H2;1H
InChIKey
BKXIXOQERHWQPJ-UHFFFAOYSA-N
Canonic Smiles
ClCc1cc(I)cnc1.Cl
Isomeric Smiles
c1(cncc(c1)CCl)I.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.2698648
LogD (pH = 7.4)
2.2717361
Log P
2.27176
Molar Refractivity
47.1305
Polarizability
18.399395
Polar Surface Area
12.89
Rotatable Bonds
1
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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