Molecule

ID:56681

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClO₂
Molecular Mass
198.64614
Exact Mass
198.04475727
Charge
0
InChI
InChI=1S/C10H11ClO2/c1-7-5-3-4-6-9(7)13-8(2)10(11)12/h3-6,8H,1-2H3
InChIKey
OGULJDOZDDVXLP-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)C(Oc1ccccc1C)C
Isomeric Smiles
C(=O)(C(Oc1c(C)cccc1)C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.909073
LogD (pH = 7.4)
2.909073
Log P
2.909073
Molar Refractivity
51.9994
Polarizability
20.23963
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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