Molecule

ID:104738

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₅ClO
Molecular Mass
232.79
Exact Mass
232.1593931
Charge
0
InChI
InChI=1S/C13H25ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3
InChIKey
FJRPWCNFWGBGOF-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCC(=O)Cl
Isomeric Smiles
CCCCCCCCCCCCC(=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.4562063
LogD (pH = 7.4)
5.4562063
Log P
5.4562063
Molar Refractivity
67.1391
Polarizability
26.597265
Polar Surface Area
17.07
Rotatable Bonds
11
Lipinski's Rule of Five
false
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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