Molecule

ID:84108

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₂Cl₂O₂
Molecular Mass
307.17128
Exact Mass
306.02143498
Charge
0
InChI
InChI=1S/C16H12Cl2O2/c1-20-12-7-5-11(6-8-12)16(19)10-9-13-14(17)3-2-4-15(13)18/h2-10H,1H3
InChIKey
NSZMURCNUHIMRN-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C(=O)/C=C/c1c(Cl)cccc1Cl
Isomeric Smiles
O=C(c1ccc(cc1)OC)/C=C/c1c(cccc1Cl)Cl
Calculated Properties
JChem
Acid pKa
15.994765
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.9407434
LogD (pH = 7.4)
4.9407434
Log P
4.9407434
Molar Refractivity
82.9498
Polarizability
31.59248
Polar Surface Area
26.3
Rotatable Bonds
4
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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