Molecule

ID:84107

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₂Cl₂O
Molecular Mass
291.17188
Exact Mass
290.02652036
Charge
0
InChI
InChI=1S/C16H12Cl2O/c1-11-5-7-12(8-6-11)16(19)10-9-13-14(17)3-2-4-15(13)18/h2-10H,1H3
InChIKey
RFYXNLVUTQPPOO-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)C)/C=C/c1c(Cl)cccc1Cl
Isomeric Smiles
O=C(c1ccc(cc1)C)/C=C/c1c(cccc1Cl)Cl
Calculated Properties
JChem
Acid pKa
15.956024
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.611836
LogD (pH = 7.4)
5.611836
Log P
5.611836
Molar Refractivity
81.5278
Polarizability
30.831352
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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