Molecule

ID:26161

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀Cl₂O₂
Molecular Mass
281.134
Exact Mass
280.00578492
Charge
0
InChI
InChI=1S/C14H10Cl2O2/c15-12-5-4-11(14(16)7-12)9-18-13-3-1-2-10(6-13)8-17/h1-8H,9H2
InChIKey
QXYGWKAALLBFLB-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(c1)OCc1ccc(cc1Cl)Cl
Isomeric Smiles
c1(c(COc2cc(C=O)ccc2)ccc(c1)Cl)Cl
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
28.084394
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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