Molecule
ID:73691
General Information
Molecular Formula
C₁₁H₁₉ClO₂
Molecular Mass
218.72036
Exact Mass
218.10735753
Charge
0
InChI
InChI=1S/C11H19ClO2/c1-3-14-11(13)9-7-5-4-6-8-10(2)12/h2-9H2,1H3
InChIKey
WTFVYTWWPTXNDC-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CCCCCCC(=C)Cl
Isomeric Smiles
ClC(=C)CCCCCCC(=O)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.4241717
LogD (pH = 7.4)
3.4241717
Log P
3.4241717
Molar Refractivity
59.3086
Polarizability
23.34658
Polar Surface Area
26.3
Rotatable Bonds
9
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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