Molecule
ID:79205
General Information
Molecular Formula
C₇H₄ClIO₂
Molecular Mass
282.46293
Exact Mass
281.89445505
Charge
0
InChI
InChI=1S/C7H4ClIO2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)
InChIKey
LFLGQMGSWYRAMO-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(I)cc(c1)C(=O)O
Isomeric Smiles
O=C(c1cc(cc(c1)I)Cl)O
Calculated Properties
JChem
Acid pKa
3.7644749
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4273049
LogD (pH = 7.4)
-0.1145195
Log P
3.163818
Molar Refractivity
51.4815
Polarizability
19.97415
Polar Surface Area
37.3
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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