Molecule

ID:56734

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClO₂
Molecular Mass
198.64614
Exact Mass
198.04475727
Charge
0
InChI
InChI=1S/C10H11ClO2/c1-10(2,9(11)12)13-8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKey
WWIJGHHDQFJHQW-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)C(Oc1ccccc1)(C)C
Isomeric Smiles
C(C(=O)Cl)(Oc1ccccc1)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8284175
LogD (pH = 7.4)
2.8284175
Log P
2.8284175
Molar Refractivity
51.6715
Polarizability
20.31391
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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