Molecule

ID:41101

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄Cl₂O₂
Molecular Mass
297.17646
Exact Mass
296.03708505
Charge
0
InChI
InChI=1S/C15H14Cl2O2/c1-10(18)11-3-6-14(7-4-11)19-9-12-2-5-13(16)8-15(12)17/h2-8,10,18H,9H2,1H3
InChIKey
JWZHTVMCIIZMBD-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)COc1ccc(cc1)C(O)C
Isomeric Smiles
c1(c(COc2ccc(cc2)C(O)C)ccc(c1)Cl)Cl
Calculated Properties
JChem
Acid pKa
14.810234
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.397362
LogD (pH = 7.4)
4.397362
Log P
4.397362
Molar Refractivity
77.9781
Polarizability
30.477356
Polar Surface Area
29.46
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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