Molecule

ID:89752

General Information
Structure
MolImage
Molecular Formula
C₇H₃Cl₃O₂
Molecular Mass
225.45652
Exact Mass
223.91986238
Charge
0
InChI
InChI=1S/C7H3Cl3O2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,(H,11,12)
InChIKey
RAFFVQBMVYYTQS-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1c(Cl)cc(cc1Cl)Cl
Isomeric Smiles
O=C(c1c(cc(cc1Cl)Cl)Cl)O
Calculated Properties
JChem
Acid pKa
2.069053
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.2664122
LogD (pH = 7.4)
-0.07970079
Log P
3.4429626
Molar Refractivity
47.7286
Polarizability
18.552807
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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