Molecule

ID:41936

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇ClO₃
Molecular Mass
196.67178
Exact Mass
196.08662208
Charge
0
InChI
InChI=1S/C8H17ClO3/c1-4-10-8(7-9,11-5-2)12-6-3/h4-7H2,1-3H3
InChIKey
URFKLQSFBXBOQU-UHFFFAOYSA-N
Canonic Smiles
ClCC(OCC)(OCC)OCC
Isomeric Smiles
C(OCC)(OCC)(OCC)CCl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.3997357
LogD (pH = 7.4)
2.3997357
Log P
2.3997357
Molar Refractivity
49.4837
Polarizability
19.431133
Polar Surface Area
27.69
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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