Molecule

ID:18233

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁ClO₂
Molecular Mass
210.65684
Exact Mass
210.04475727
Charge
0
InChI
InChI=1S/C11H11ClO2/c1-7-4-9-5-8(10(13)6-12)2-3-11(9)14-7/h2-3,5,7H,4,6H2,1H3
InChIKey
WORVCWBAQGVIQH-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)c1ccc2c(c1)CC(O2)C
Isomeric Smiles
c12c(OC(C2)C)ccc(c1)C(=O)CCl
Calculated Properties
JChem
Acid pKa
15.552151
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3670294
LogD (pH = 7.4)
2.3670294
Log P
2.3670294
Molar Refractivity
55.4056
Polarizability
21.292408
Polar Surface Area
26.3
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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