Molecule

ID:109673

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇ClO₂
Molecular Mass
192.68308
Exact Mass
192.09170746
Charge
0
InChI
InChI=1S/C9H17ClO2/c1-2-3-4-5-6-7-8-12-9(10)11/h2-8H2,1H3
InChIKey
VFXVAXFIFHSGNR-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCOC(=O)Cl
Isomeric Smiles
CCCCCCCCOC(=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.031449
LogD (pH = 7.4)
4.031449
Log P
4.031449
Molar Refractivity
50.4034
Polarizability
19.964031
Polar Surface Area
26.3
Rotatable Bonds
8
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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