Molecule

ID:7615

General Information
Structure
MolImage
Molecular Formula
C₇H₄ClIO₂
Molecular Mass
282.46293
Exact Mass
281.89445505
Charge
0
InChI
InChI=1S/C7H4ClIO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,(H,10,11)
InChIKey
GEBYSTBEDVQOTK-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc(c(c1)C(=O)O)Cl
Isomeric Smiles
c1(ccc(c(c1)C(=O)O)Cl)I
Calculated Properties
JChem
Acid pKa
2.9321103
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.63978463
LogD (pH = 7.4)
-0.3182988
Log P
3.163818
Molar Refractivity
51.4815
Polarizability
19.988827
Polar Surface Area
37.3
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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