Molecule

ID:90376

General Information
Structure
MolImage
Molecular Formula
C₅H₉ClO₃
Molecular Mass
152.57616
Exact Mass
152.02402183
Charge
0
InChI
InChI=1S/C5H9ClO3/c1-8-2-3-9-4-5(6)7/h2-4H2,1H3
InChIKey
OZJZCCMIOZPPIT-UHFFFAOYSA-N
Canonic Smiles
COCCOCC(=O)Cl
Isomeric Smiles
O(CC(=O)Cl)CCOC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.08888688
LogD (pH = 7.4)
0.08888688
Log P
0.08888688
Molar Refractivity
33.9991
Polarizability
13.414074
Polar Surface Area
35.53
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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