Molecule

ID:54570

General Information
Structure
MolImage
Molecular Formula
C₆H₄Cl₂INO
Molecular Mass
303.91253
Exact Mass
302.87146711
Charge
0
InChI
InChI=1S/C6H4Cl2INO/c1-11-5-4(9)3(7)2-10-6(5)8/h2H,1H3
InChIKey
QYJDLVDZZPZJAH-UHFFFAOYSA-N
Canonic Smiles
COc1c(Cl)ncc(c1I)Cl
Isomeric Smiles
c1(cnc(c(c1I)OC)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9551132
LogD (pH = 7.4)
2.9551132
Log P
2.9551132
Molar Refractivity
54.3977
Polarizability
21.335442
Polar Surface Area
22.12
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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