Molecule

ID:25883

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉ClO₃
Molecular Mass
236.65106
Exact Mass
236.02402183
Charge
0
InChI
InChI=1S/C12H9ClO3/c13-9-2-1-3-10(6-9)15-8-12-5-4-11(7-14)16-12/h1-7H,8H2
InChIKey
OBOPNPUOIQNUGJ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(o1)COc1cccc(c1)Cl
Isomeric Smiles
o1c(ccc1COc1cc(Cl)ccc1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8368425
LogD (pH = 7.4)
2.8368425
Log P
2.8368425
Molar Refractivity
60.791
Polarizability
23.109558
Polar Surface Area
39.44
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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