Molecule

ID:18833

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁ClO₂
Molecular Mass
210.65684
Exact Mass
210.04475727
Charge
0
InChI
InChI=1S/C11H11ClO2/c12-7-10(13)8-3-4-11-9(6-8)2-1-5-14-11/h3-4,6H,1-2,5,7H2
InChIKey
ORIACXUZFZHMIG-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)c1ccc2c(c1)CCCO2
Isomeric Smiles
c1(cc2c(OCCC2)cc1)C(=O)CCl
Calculated Properties
JChem
Acid pKa
15.567393
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.395023
LogD (pH = 7.4)
2.395023
Log P
2.395023
Molar Refractivity
55.5878
Polarizability
21.294065
Polar Surface Area
26.3
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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