Molecule

ID:91177

General Information
Structure
MolImage
Molecular Formula
C₇H₄ClIO
Molecular Mass
266.46353
Exact Mass
265.89954043
Charge
0
InChI
InChI=1S/C7H4ClIO/c8-7(10)5-1-3-6(9)4-2-5/h1-4H
InChIKey
NJAKCIUOTIPYED-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1ccc(cc1)I
Isomeric Smiles
O=C(c1ccc(cc1)I)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.093103
LogD (pH = 7.4)
3.093103
Log P
3.093103
Molar Refractivity
50.5352
Polarizability
19.390993
Polar Surface Area
17.07
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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