Molecule

ID:91070

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁ClO
Molecular Mass
122.59324
Exact Mass
122.04984265
Charge
0
InChI
InChI=1S/C5H11ClO/c6-4-2-1-3-5-7/h7H,1-5H2
InChIKey
DCBJCKDOZLTTDW-UHFFFAOYSA-N
Canonic Smiles
OCCCCCCl
Isomeric Smiles
ClCCCCCO
Calculated Properties
JChem
Acid pKa
16.843918
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.1678039
LogD (pH = 7.4)
1.1678039
Log P
1.1678039
Molar Refractivity
31.7156
Polarizability
12.401279
Polar Surface Area
20.23
Rotatable Bonds
4
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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