Molecule

ID:29832

General Information
Structure
MolImage
Molecular Formula
C₇H₄Cl₂O₂
Molecular Mass
191.01146
Exact Mass
189.95883473
Charge
0
InChI
InChI=1S/C7H4Cl2O2/c8-7(9)10-5-3-1-2-4-6(5)11-7/h1-4H
InChIKey
NMNKOUVBELKKTR-UHFFFAOYSA-N
Canonic Smiles
ClC1(Cl)Oc2c(O1)cccc2
Isomeric Smiles
O1C(Oc2c1cccc2)(Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.564402
LogD (pH = 7.4)
3.564402
Log P
3.564402
Molar Refractivity
29.8948
Polarizability
16.609533
Polar Surface Area
18.46
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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