Molecule

ID:78684

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₂Cl₂O
Molecular Mass
303.18258
Exact Mass
302.02652036
Charge
0
InChI
InChI=1S/C17H12Cl2O/c18-16-7-3-1-5-13(16)9-11-15(20)12-10-14-6-2-4-8-17(14)19/h1-12H
InChIKey
OZBIBYIDJNVAOQ-UHFFFAOYSA-N
Canonic Smiles
O=C(/C=C/c1ccccc1Cl)/C=C/c1ccccc1Cl
Isomeric Smiles
O=C(/C=C/c1c(cccc1)Cl)/C=C/c1ccccc1Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.033233
LogD (pH = 7.4)
6.033233
Log P
6.033233
Molar Refractivity
86.6368
Polarizability
32.59792
Polar Surface Area
17.07
Rotatable Bonds
4
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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