Molecule

ID:73981

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂Cl₂O
Molecular Mass
279.16118
Exact Mass
278.02652036
Charge
0
InChI
InChI=1S/C15H12Cl2O/c1-9-3-4-14(10(2)5-9)15(18)11-6-12(16)8-13(17)7-11/h3-8H,1-2H3
InChIKey
SENBILWASAFEOD-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)C)C(=O)c1cc(Cl)cc(c1)Cl
Isomeric Smiles
O=C(c1c(cc(cc1)C)C)c1cc(cc(c1)Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.667531
LogD (pH = 7.4)
5.667531
Log P
5.667531
Molar Refractivity
76.3255
Polarizability
29.23838
Polar Surface Area
17.07
Rotatable Bonds
2
Lipinski's Rule of Five
false
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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