Molecule

ID:79475

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀O
Molecular Mass
216.3187
Exact Mass
216.15141526
Charge
0
InChI
InChI=1S/C15H20O/c1-3-5-6-7-8-13-16-15-11-9-14(4-2)10-12-15/h2,9-12H,3,5-8,13H2,1H3
InChIKey
DQAKDXDJKLBWOL-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCOc1ccc(cc1)C#C
Isomeric Smiles
O(c1ccc(cc1)C#C)CCCCCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.624015
LogD (pH = 7.4)
4.624015
Log P
4.624015
Molar Refractivity
65.3701
Polarizability
26.511919
Polar Surface Area
9.23
Rotatable Bonds
7
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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