Molecule

ID:25138

General Information
Structure
MolImage
Molecular Formula
C₅H₉ClO₂
Molecular Mass
136.57676
Exact Mass
136.02910721
Charge
0
InChI
InChI=1S/C5H9ClO2/c6-3-5-4-7-1-2-8-5/h5H,1-4H2
InChIKey
SFABQWISNPPOOB-UHFFFAOYSA-N
Canonic Smiles
ClCC1COCCO1
Isomeric Smiles
O1C(COCC1)CCl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.6303059
LogD (pH = 7.4)
0.6303059
Log P
0.6303059
Molar Refractivity
31.1005
Polarizability
12.511732
Polar Surface Area
18.46
Rotatable Bonds
1
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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