Molecule

ID:41306

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉ClO₃
Molecular Mass
224.64036
Exact Mass
224.02402183
Charge
0
InChI
InChI=1S/C11H9ClO3/c1-14-11(13)8-4-7-5-9(12)2-3-10(7)15-6-8/h2-5H,6H2,1H3
InChIKey
OLQOSWHSVZKSLW-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1=Cc2c(OC1)ccc(c2)Cl
Isomeric Smiles
C1(=Cc2c(OC1)ccc(c2)Cl)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5950434
LogD (pH = 7.4)
2.5950434
Log P
2.5950434
Molar Refractivity
56.9675
Polarizability
21.976025
Polar Surface Area
35.53
Rotatable Bonds
2
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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