Molecule

ID:88606

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄O₂
Molecular Mass
248.36056
Exact Mass
248.17763001
Charge
0
InChI
InChI=1S/C16H24O2/c1-4-16(18-15(17)10(2)3)13-6-11-5-12(8-13)9-14(16)7-11/h11-14H,2,4-9H2,1,3H3
InChIKey
DCTVCFJTKSQXED-UHFFFAOYSA-N
Canonic Smiles
CCC1(OC(=O)C(=C)C)C2CC3CC1CC(C2)C3
Isomeric Smiles
O(C1(C2CC3CC1CC(C3)C2)CC)C(=O)C(=C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.286627
LogD (pH = 7.4)
4.286627
Log P
4.286627
Molar Refractivity
71.03
Polarizability
28.535233
Polar Surface Area
26.3
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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