Molecule

ID:77464

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁ClO₂
Molecular Mass
162.61404
Exact Mass
162.04475727
Charge
0
InChI
InChI=1S/C7H11ClO2/c8-7(9)5-6-1-3-10-4-2-6/h6H,1-5H2
InChIKey
JOMCRTRTXWWINA-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)CC1CCOCC1
Isomeric Smiles
O1CCC(CC1)CC(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.9195912
LogD (pH = 7.4)
0.9195912
Log P
0.9195912
Molar Refractivity
39.828
Polarizability
15.582828
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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