Molecule

ID:82303

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₄O
Molecular Mass
292.41466
Exact Mass
292.18271539
Charge
0
InChI
InChI=1S/C21H24O/c1-13-7-9-19(10-8-13)11-12-20(22)21-17(5)15(3)14(2)16(4)18(21)6/h7-12H,1-6H3
InChIKey
HHIXBTDSXAQABX-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)/C=C/C(=O)c1c(C)c(C)c(c(c1C)C)C
Isomeric Smiles
O=C(c1c(c(c(c(c1C)C)C)C)C)/C=C/c1ccc(cc1)C
Calculated Properties
JChem
Acid pKa
17.417454
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.970854
LogD (pH = 7.4)
6.970854
Log P
6.970854
Molar Refractivity
97.1242
Polarizability
35.9954
Polar Surface Area
17.07
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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