Molecule

ID:76220

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀Cl₂O₂
Molecular Mass
281.134
Exact Mass
280.00578492
Charge
0
InChI
InChI=1S/C14H10Cl2O2/c15-11-7-6-10(8-12(11)16)13(14(17)18)9-4-2-1-3-5-9/h1-8,13H,(H,17,18)
InChIKey
XHOSLHVZDULGLF-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(c1ccc(c(c1)Cl)Cl)c1ccccc1
Isomeric Smiles
O=C(C(c1ccc(c(c1)Cl)Cl)c1ccccc1)O
Calculated Properties
JChem
Acid pKa
3.7527921
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.7480733
LogD (pH = 7.4)
1.212446
Log P
4.495874
Molar Refractivity
71.6447
Polarizability
27.893806
Polar Surface Area
37.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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