Molecule

ID:78616

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₆Cl₂O₂
Molecular Mass
335.22444
Exact Mass
334.05273511
Charge
0
InChI
InChI=1S/C18H16Cl2O2/c1-12(2)22-15-7-3-13(4-8-15)5-10-18(21)16-9-6-14(19)11-17(16)20/h3-12H,1-2H3
InChIKey
RQZOCBGMOCBGMA-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccc(cc1)/C=C/C(=O)c1ccc(cc1Cl)Cl)C
Isomeric Smiles
O=C(c1ccc(cc1Cl)Cl)/C=C/c1ccc(cc1)OC(C)C
Calculated Properties
JChem
Acid pKa
16.53852
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.7141266
LogD (pH = 7.4)
5.7141266
Log P
5.7141266
Molar Refractivity
92.1172
Polarizability
35.28019
Polar Surface Area
26.3
Rotatable Bonds
5
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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