Molecule

ID:101901

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀Cl₂O
Molecular Mass
229.1025
Exact Mass
228.0108703
Charge
0
InChI
InChI=1S/C11H10Cl2O/c1-7(14)8-2-4-9(5-3-8)10-6-11(10,12)13/h2-5,10H,6H2,1H3
InChIKey
KCKBGCSOFLKSEH-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1ccc(cc1)C1CC1(Cl)Cl
Isomeric Smiles
C1(C(C1)c1ccc(C(=O)C)cc1)(Cl)Cl
Calculated Properties
JChem
Acid pKa
16.15284
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8581915
LogD (pH = 7.4)
2.8581915
Log P
2.8581915
Molar Refractivity
59.15
Polarizability
22.459124
Polar Surface Area
17.07
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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