Molecule
ID:79779
General Information
Molecular Formula
C₁₃H₂₅ClO₂
Molecular Mass
248.7894
Exact Mass
248.15430772
Charge
0
InChI
InChI=1S/C13H25ClO2/c1-2-3-4-5-6-7-8-9-12-16-13(15)10-11-14/h2-12H2,1H3
InChIKey
HOFHJGXZUUNNDQ-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCOC(=O)CCCl
Isomeric Smiles
O=C(CCCl)OCCCCCCCCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.6882157
LogD (pH = 7.4)
4.6882157
Log P
4.6882157
Molar Refractivity
68.345
Polarizability
27.257538
Polar Surface Area
26.3
Rotatable Bonds
12
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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