Molecule
ID:121627
General Information
Molecular Formula
C₁₅H₂₄O
Molecular Mass
220.35046
Exact Mass
220.18271539
Charge
0
InChI
InChI=1S/C15H24O/c1-9-5-10(2)15(14(16)6-9)13-8-11-3-4-12(13)7-11/h9-13,15H,3-8H2,1-2H3
InChIKey
OMRXGTVRYFLYAG-UHFFFAOYSA-N
Canonic Smiles
CC1CC(C)C(C(=O)C1)C1CC2CC1CC2
Isomeric Smiles
C1(C2C(=O)CC(CC2C)C)C2CC(C1)CC2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.8725302
LogD (pH = 7.4)
3.8725302
Log P
3.8725302
Molar Refractivity
65.7635
Polarizability
26.251266
Polar Surface Area
17.07
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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