Molecule

ID:71816

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄O₂
Molecular Mass
248.36056
Exact Mass
248.17763001
Charge
0
InChI
InChI=1S/C16H24O2/c1-2-18-13-10-14-8-11-16(17,12-9-14)15-6-4-3-5-7-15/h3-7,14,17H,2,8-13H2,1H3
InChIKey
MTGBKJLGFHMIII-UHFFFAOYSA-N
Canonic Smiles
CCOCCC1CCC(CC1)(O)c1ccccc1
Isomeric Smiles
C1C(CCC(C1)(c1ccccc1)O)CCOCC
Calculated Properties
JChem
Acid pKa
14.081132
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.223779
LogD (pH = 7.4)
3.2237787
Log P
3.223779
Molar Refractivity
74.3558
Polarizability
29.331907
Polar Surface Area
29.46
Rotatable Bonds
5
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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