Molecule

ID:82094

General Information
Structure
MolImage
Molecular Formula
C₁₅H₉Cl₃O
Molecular Mass
311.59036
Exact Mass
309.97189795
Charge
0
InChI
InChI=1S/C15H9Cl3O/c16-12-5-2-11(3-6-12)15(19)8-4-10-1-7-13(17)9-14(10)18/h1-9H
InChIKey
GSQGUMFXFLWUJU-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)C(=O)/C=C/c1ccc(cc1Cl)Cl
Isomeric Smiles
O=C(c1ccc(cc1)Cl)/C=C/c1ccc(cc1Cl)Cl
Calculated Properties
JChem
Acid pKa
16.267756
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.7024593
LogD (pH = 7.4)
5.7024593
Log P
5.7024593
Molar Refractivity
81.2914
Polarizability
30.948788
Polar Surface Area
17.07
Rotatable Bonds
3
Lipinski's Rule of Five
false
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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