Molecule

ID:27481

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀O
Molecular Mass
216.3187
Exact Mass
216.15141526
Charge
0
InChI
InChI=1S/C15H20O/c1-2-15(16)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h8-12H,2-7H2,1H3
InChIKey
FDXQBKHOYXKTQZ-UHFFFAOYSA-N
Canonic Smiles
CCC(=O)c1ccc(cc1)C1CCCCC1
Isomeric Smiles
c1(C(=O)CC)ccc(cc1)C1CCCCC1
Calculated Properties
JChem
Acid pKa
16.794626
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.3464184
LogD (pH = 7.4)
4.3464184
Log P
4.3464184
Molar Refractivity
67.2793
Polarizability
26.175077
Polar Surface Area
17.07
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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