Molecule
ID:121816
General Information
Molecular Formula
C₁₁H₂₁ClO₂
Molecular Mass
220.73624
Exact Mass
220.12300759
Charge
0
InChI
InChI=1S/C11H21ClO2/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h1-10H2,(H,13,14)
InChIKey
GVZXFVFTBUYBJD-UHFFFAOYSA-N
Canonic Smiles
ClCCCCCCCCCCC(=O)O
Isomeric Smiles
C(=O)(O)CCCCCCCCCCCl
Calculated Properties
JChem
Acid pKa
4.9520197
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.2958472
LogD (pH = 7.4)
1.5367122
Log P
3.9516528
Molar Refractivity
59.0583
Polarizability
23.33522
Polar Surface Area
37.3
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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