Molecule

ID:107825

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆Cl₂O
Molecular Mass
199.11804
Exact Mass
198.05782049
Charge
0
InChI
InChI=1S/C8H16Cl2O/c9-5-1-3-7-11-8-4-2-6-10/h1-8H2
InChIKey
PVBMXMKIKMJQRK-UHFFFAOYSA-N
Canonic Smiles
ClCCCCOCCCCCl
Isomeric Smiles
ClCCCCOCCCCCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6081738
LogD (pH = 7.4)
2.6081738
Log P
2.6081738
Molar Refractivity
50.7191
Polarizability
19.836037
Polar Surface Area
9.23
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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