Molecule

ID:56792

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClO₂
Molecular Mass
198.64614
Exact Mass
198.04475727
Charge
0
InChI
InChI=1S/C10H11ClO2/c1-7-3-4-9(8(2)5-7)13-6-10(11)12/h3-5H,6H2,1-2H3
InChIKey
XJEVVWZVAMVWKS-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)COc1ccc(cc1C)C
Isomeric Smiles
c1(c(OCC(=O)Cl)ccc(c1)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8537302
LogD (pH = 7.4)
2.8537302
Log P
2.8537302
Molar Refractivity
52.5467
Polarizability
20.164022
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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