Molecule

ID:107853

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇ClO₂
Molecular Mass
192.68308
Exact Mass
192.09170746
Charge
0
InChI
InChI=1S/C9H17ClO2/c1-3-5-6-8(4-2)7-12-9(10)11/h8H,3-7H2,1-2H3
InChIKey
RTGLJCSUKOLTEM-UHFFFAOYSA-N
Canonic Smiles
CCCCC(COC(=O)Cl)CC
Isomeric Smiles
CCCCC(CC)COC(=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.9518528
LogD (pH = 7.4)
3.9518528
Log P
3.9518528
Molar Refractivity
50.274
Polarizability
19.964035
Polar Surface Area
26.3
Rotatable Bonds
7
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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