Molecule

ID:108804

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁ClO
Molecular Mass
146.61464
Exact Mass
146.04984265
Charge
0
InChI
InChI=1S/C7H11ClO/c8-6-4-2-1-3-5-7(6)9/h6H,1-5H2
InChIKey
SDSZGDVXUFWFAA-UHFFFAOYSA-N
Canonic Smiles
ClC1CCCCCC1=O
Isomeric Smiles
ClC1CCCCCC1=O
Calculated Properties
JChem
Acid pKa
17.842384
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4162889
LogD (pH = 7.4)
2.4162889
Log P
2.4162889
Molar Refractivity
37.3916
Polarizability
14.810885
Polar Surface Area
17.07
Rotatable Bonds
0
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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