Molecule

ID:35815

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂O₂
Molecular Mass
234.33398
Exact Mass
234.16197994
Charge
0
InChI
InChI=1S/C15H22O2/c1-10(16)2-3-14(17)15-7-11-4-12(8-15)6-13(5-11)9-15/h11-13H,2-9H2,1H3
InChIKey
CLLTWXJATGPULX-UHFFFAOYSA-N
Canonic Smiles
O=C(C12CC3CC(C2)CC(C1)C3)CCC(=O)C
Isomeric Smiles
C12(C(=O)CCC(=O)C)CC3CC(C2)CC(C1)C3
Calculated Properties
JChem
Acid pKa
17.38597
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8638902
LogD (pH = 7.4)
2.8638902
Log P
2.8638902
Molar Refractivity
66.3838
Polarizability
26.313885
Polar Surface Area
34.14
Rotatable Bonds
4
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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