Molecule

ID:82576

General Information
Structure
MolImage
Molecular Formula
C₈H₁₃ClO₂
Molecular Mass
176.64062
Exact Mass
176.06040734
Charge
0
InChI
InChI=1S/C8H13ClO2/c9-6-8(10)11-7-4-2-1-3-5-7/h7H,1-6H2
InChIKey
IBFHBLOKQVCABG-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)OC1CCCCC1
Isomeric Smiles
O(C1CCCCC1)C(=O)CCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.2591627
LogD (pH = 7.4)
2.2591627
Log P
2.2591627
Molar Refractivity
43.1802
Polarizability
17.37429
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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