Molecule

ID:112301

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂O
Molecular Mass
218.33458
Exact Mass
218.16706532
Charge
0
InChI
InChI=1S/C15H22O/c1-14(2,3)12-9-7-11(8-10-12)13(16)15(4,5)6/h7-10H,1-6H3
InChIKey
ZISXBXYWRHTLEN-UHFFFAOYSA-N
Canonic Smiles
O=C(C(C)(C)C)c1ccc(cc1)C(C)(C)C
Isomeric Smiles
CC(C)(C)C(=O)c1ccc(cc1)C(C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.875486
LogD (pH = 7.4)
4.875486
Log P
4.875486
Molar Refractivity
68.8291
Polarizability
26.914524
Polar Surface Area
17.07
Rotatable Bonds
3
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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