Molecule

ID:84899

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₄Cl₂O
Molecular Mass
317.20916
Exact Mass
316.04217043
Charge
0
InChI
InChI=1S/C18H14Cl2O/c19-18(20)12-16(18)14-7-9-15(10-8-14)17(21)11-6-13-4-2-1-3-5-13/h1-11,16H,12H2
InChIKey
FAROOPRYVAAPPP-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)C1CC1(Cl)Cl)/C=C/c1ccccc1
Isomeric Smiles
ClC1(C(c2ccc(cc2)C(=O)/C=C/c2ccccc2)C1)Cl
Calculated Properties
JChem
Acid pKa
16.96206
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.2176237
LogD (pH = 7.4)
5.2176237
Log P
5.2176237
Molar Refractivity
89.5662
Polarizability
33.687504
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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