Molecule

ID:25946

General Information
Structure
Molecular Formula
C₁₄H₁₀Cl₂O₂
Molecular Mass
281.134
Exact Mass
280.00578492
Charge
0
InChI
InChI=1S/C14H10Cl2O2/c15-12-5-3-6-13(16)11(12)9-18-14-7-2-1-4-10(14)8-17/h1-8H,9H2
InChIKey
IUJBZYNJIQASTQ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccccc1OCc1c(Cl)cccc1Cl
Isomeric Smiles
c1(COc2c(C=O)cccc2)c(Cl)cccc1Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.4606395
LogD (pH = 7.4)
4.4606395
Log P
4.4606395
Molar Refractivity
73.3274
Polarizability
28.092304
Polar Surface Area
26.3
Rotatable Bonds
4
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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