Molecule
ID:83523
General Information
Molecular Formula
C₁₄H₁₂Cl₄O₂
Molecular Mass
354.05588
Exact Mass
351.95914034
Charge
0
InChI
InChI=1S/C14H12Cl4O2/c1-20-12(19)10(11(15)16)7-13(8-14(13,17)18)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKey
BFCHNYBQSMYWKR-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(=C(Cl)Cl)CC1(CC1(Cl)Cl)c1ccccc1
Isomeric Smiles
ClC1(C(C1)(c1ccccc1)CC(=C(Cl)Cl)C(=O)OC)Cl
Calculated Properties
JChem
Acid pKa
4.1648855
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.5945919
LogD (pH = 7.4)
1.8848236
Log P
4.946655
Molar Refractivity
93.5041
Polarizability
32.26742
Polar Surface Area
26.3
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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