Molecule

ID:86342

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈Cl₂O₂
Molecular Mass
255.09672
Exact Mass
253.99013486
Charge
0
InChI
InChI=1S/C12H8Cl2O2/c1-7-10(12(14)15)6-11(16-7)8-2-4-9(13)5-3-8/h2-6H,1H3
InChIKey
FFBPNWVXORPKKH-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)c1oc(c(c1)C(=O)Cl)C
Isomeric Smiles
o1c(c(cc1c1ccc(cc1)Cl)C(=O)Cl)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6752365
LogD (pH = 7.4)
3.6752365
Log P
3.6752365
Molar Refractivity
64.6543
Polarizability
25.534548
Polar Surface Area
30.21
Rotatable Bonds
2
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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