Molecule
ID:79711
General Information
Molecular Formula
C₁₁H₂₁ClO₂
Molecular Mass
220.73624
Exact Mass
220.12300759
Charge
0
InChI
InChI=1S/C11H21ClO2/c1-2-3-4-5-6-7-10-14-11(13)8-9-12/h2-10H2,1H3
InChIKey
APSFWUHAPFXKHS-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCOC(=O)CCCl
Isomeric Smiles
O=C(CCCl)OCCCCCCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.7990785
LogD (pH = 7.4)
3.7990785
Log P
3.7990785
Molar Refractivity
59.143
Polarizability
23.58298
Polar Surface Area
26.3
Rotatable Bonds
10
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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