Molecule

ID:65293

General Information
Structure
Molecular Formula
C₅H₈Cl₂O
Molecular Mass
155.02242
Exact Mass
153.99522024
Charge
0
InChI
InChI=1S/C5H8Cl2O/c6-1-5(2-7)3-8-4-5/h1-4H2
InChIKey
CXURGFRDGROIKG-UHFFFAOYSA-N
Canonic Smiles
ClCC1(CCl)COC1
Isomeric Smiles
C1OCC1(CCl)CCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.1323007
LogD (pH = 7.4)
1.1323007
Log P
1.1323007
Molar Refractivity
34.3196
Polarizability
13.667709
Polar Surface Area
9.23
Rotatable Bonds
2
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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