Molecule

ID:127731

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₄O₃
Molecular Mass
324.41346
Exact Mass
324.17254463
Charge
0
InChI
InChI=1S/C21H24O3/c1-5-6-7-8-14-12-17(22)18-15-11-13(2)9-10-16(15)21(3,4)24-20(18)19(14)23/h9-12H,5-8H2,1-4H3
InChIKey
UFDYTRQMIXJHTH-UHFFFAOYSA-N
Canonic Smiles
CCCCCC1=CC(=O)C2=C(C1=O)OC(c1c2cc(C)cc1)(C)C
Isomeric Smiles
O=C1C(=CC(=O)C2=C1OC(c1c2cc(cc1)C)(C)C)CCCCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.421997
LogD (pH = 7.4)
5.421997
Log P
5.421997
Molar Refractivity
97.6134
Polarizability
36.8315
Polar Surface Area
43.37
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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