Molecule

ID:123415

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁ClO₂
Molecular Mass
150.60334
Exact Mass
150.04475727
Charge
0
InChI
InChI=1S/C6H11ClO2/c1-2-9-6(8)4-3-5-7/h2-5H2,1H3
InChIKey
OPXNFHAILOHHFO-UHFFFAOYSA-N
Canonic Smiles
ClCCCC(=O)OCC
Isomeric Smiles
C(=O)(OCC)CCCCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.3423741
LogD (pH = 7.4)
1.3423741
Log P
1.3423741
Molar Refractivity
36.369
Polarizability
14.430602
Polar Surface Area
26.3
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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