Molecule

ID:106943

General Information
Structure
Molecular Formula
C₇H₄Cl₂O₃
Molecular Mass
207.01086
Exact Mass
205.95374935
Charge
0
InChI
InChI=1S/C7H4Cl2O3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10H,(H,11,12)
InChIKey
AULKDLUOQCUNOK-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(Cl)c(c(c1)Cl)O
Isomeric Smiles
OC(=O)c1cc(Cl)c(O)c(Cl)c1
Calculated Properties
JChem
Acid pKa
4.0392866
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.0387099
LogD (pH = 7.4)
-1.277832
Log P
2.5353527
Molar Refractivity
44.9047
Polarizability
17.2597
Polar Surface Area
57.53
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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