Molecule

ID:102803

General Information
Structure
MolImage
Molecular Formula
C₉H₇Cl₃O₃
Molecular Mass
269.50908
Exact Mass
267.94607712
Charge
0
InChI
InChI=1S/C9H7Cl3O3/c1-4(9(13)14)15-8-3-6(11)5(10)2-7(8)12/h2-4H,1H3,(H,13,14)
InChIKey
ZLSWBLPERHFHIS-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)O)Oc1cc(Cl)c(cc1Cl)Cl
Isomeric Smiles
CC(Oc1c(Cl)cc(Cl)c(Cl)c1)C(=O)O
Calculated Properties
JChem
Acid pKa
2.6955798
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.94429725
LogD (pH = 7.4)
0.17307991
Log P
3.6744561
Molar Refractivity
57.5141
Polarizability
22.941181
Polar Surface Area
46.53
Rotatable Bonds
3
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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