Molecule

ID:82085

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀Cl₂O₂
Molecular Mass
293.1447
Exact Mass
292.00578492
Charge
0
InChI
InChI=1S/C15H10Cl2O2/c16-12-5-1-10(14(17)9-12)4-8-15(19)11-2-6-13(18)7-3-11/h1-9,18H
InChIKey
SQTHPNPUVZHDRR-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(cc1)C(=O)/C=C/c1ccc(cc1Cl)Cl
Isomeric Smiles
O=C(c1ccc(cc1)O)/C=C/c1ccc(cc1Cl)Cl
Calculated Properties
JChem
Acid pKa
7.8730288
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.7930255
LogD (pH = 7.4)
4.669836
Log P
4.7948494
Molar Refractivity
78.4675
Polarizability
29.677963
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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