Molecule

ID:40500

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂Cl₂O₃
Molecular Mass
311.15998
Exact Mass
310.0163496
Charge
0
InChI
InChI=1S/C15H12Cl2O3/c1-19-15(18)10-3-2-4-13(7-10)20-9-11-5-6-12(16)8-14(11)17/h2-8H,9H2,1H3
InChIKey
HLXHDXRVKGTGOC-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cccc(c1)OCc1ccc(cc1Cl)Cl
Isomeric Smiles
C(=O)(c1cc(OCc2c(cc(cc2)Cl)Cl)ccc1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.751614
LogD (pH = 7.4)
4.751614
Log P
4.751614
Molar Refractivity
78.7687
Polarizability
30.631882
Polar Surface Area
35.53
Rotatable Bonds
5
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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