Molecule

ID:85073

General Information
Structure
MolImage
Molecular Formula
C₂₃H₁₄Cl₂O
Molecular Mass
377.26266
Exact Mass
376.04217043
Charge
0
InChI
InChI=1S/C23H14Cl2O/c24-19-11-9-17(22(25)14-19)10-12-23(26)18-8-7-16-6-5-15-3-1-2-4-20(15)21(16)13-18/h1-14H
InChIKey
KVODDEFJNWSKPM-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)/C=C/C(=O)c1ccc2c(c1)c1ccccc1cc2
Isomeric Smiles
O=C(c1cc2c3c(ccc2cc1)cccc3)/C=C/c1ccc(cc1Cl)Cl
Calculated Properties
JChem
Acid pKa
16.224596
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
7.0773683
LogD (pH = 7.4)
7.0773683
Log P
7.0773683
Molar Refractivity
109.387
Polarizability
44.16229
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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