Molecule

ID:35161

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClO₂
Molecular Mass
198.64614
Exact Mass
198.04475727
Charge
0
InChI
InChI=1S/C10H11ClO2/c1-3-13-10-5-4-8(7(2)12)6-9(10)11/h4-6H,3H2,1-2H3
InChIKey
MWQVRYBEWMUXQQ-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1Cl)C(=O)C
Isomeric Smiles
c1(cc(c(cc1)OCC)Cl)C(=O)C
Calculated Properties
JChem
Acid pKa
16.147648
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3340747
LogD (pH = 7.4)
2.3340747
Log P
2.3340747
Molar Refractivity
52.4774
Polarizability
20.319965
Polar Surface Area
26.3
Rotatable Bonds
3
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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