Molecule

ID:69453

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇ClO₂
Molecular Mass
180.67238
Exact Mass
180.09170746
Charge
0
InChI
InChI=1S/C8H17ClO2/c1-3-10-8(11-4-2)6-5-7-9/h8H,3-7H2,1-2H3
InChIKey
JGGRHRMHOUWCDX-UHFFFAOYSA-N
Canonic Smiles
ClCCCC(OCC)OCC
Isomeric Smiles
C(CCCCl)(OCC)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1301787
LogD (pH = 7.4)
2.1301787
Log P
2.1301787
Molar Refractivity
47.2545
Polarizability
18.693264
Polar Surface Area
18.46
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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