Molecule

ID:75123

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁ClO
Molecular Mass
134.60394
Exact Mass
134.04984265
Charge
0
InChI
InChI=1S/C6H11ClO/c1-6(8)4-2-3-5-7/h2-5H2,1H3
InChIKey
CMDIDTNMHQUVPE-UHFFFAOYSA-N
Canonic Smiles
ClCCCCC(=O)C
Isomeric Smiles
O=C(C)CCCCCl
Calculated Properties
JChem
Acid pKa
19.64294
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.6138662
LogD (pH = 7.4)
1.6138662
Log P
1.6138662
Molar Refractivity
35.0034
Polarizability
13.691418
Polar Surface Area
17.07
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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