Molecule

ID:104609

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈O₃
Molecular Mass
246.30162
Exact Mass
246.12559444
Charge
0
InChI
InChI=1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3
InChIKey
XJHDMGJURBVLLE-UHFFFAOYSA-N
Canonic Smiles
CC1C(=O)OC2C1CCC1(C2=C(C)C(=O)C=C1)C
Isomeric Smiles
CC1C2CCC3(C)C=CC(=O)C(=C3C2OC1=O)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6011767
LogD (pH = 7.4)
2.6011767
Log P
2.6011767
Molar Refractivity
68.8324
Polarizability
26.52878
Polar Surface Area
43.37
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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