Molecule

ID:24640

General Information
Structure
MolImage
Molecular Formula
C₉H₉ClO₂
Molecular Mass
184.61956
Exact Mass
184.02910721
Charge
0
InChI
InChI=1S/C9H9ClO2/c1-12-9-3-2-7(6-11)4-8(9)5-10/h2-4,6H,5H2,1H3
InChIKey
LNKDOOILNUKDMI-UHFFFAOYSA-N
Canonic Smiles
ClCc1cc(C=O)ccc1OC
Isomeric Smiles
c1(c(ccc(c1)C=O)OC)CCl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.115319
LogD (pH = 7.4)
2.115319
Log P
2.115319
Molar Refractivity
48.9721
Polarizability
18.416023
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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