Molecule

ID:123333

General Information
Structure
Molecular Formula
C₇H₁₀Cl₂O₂
Molecular Mass
197.0591
Exact Mass
196.00578492
Charge
0
InChI
InChI=1S/C7H10Cl2O2/c8-6(10)4-2-1-3-5-7(9)11/h1-5H2
InChIKey
LVIMBOHJGMDKEJ-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)CCCCCC(=O)Cl
Isomeric Smiles
C(=O)(Cl)CCCCCC(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0018823
LogD (pH = 7.4)
2.0018823
Log P
2.0018823
Molar Refractivity
45.057
Polarizability
17.627865
Polar Surface Area
34.14
Rotatable Bonds
6
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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