Molecule

ID:106166

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₈O₂
Molecular Mass
288.42442
Exact Mass
288.20893014
Charge
0
InChI
InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3
InChIKey
FMGSKLZLMKYGDP-UHFFFAOYSA-N
Canonic Smiles
OC1CCC2(C(=CCC3C2CCC2(C3CCC2=O)C)C1)C
Isomeric Smiles
CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2=O
Calculated Properties
JChem
Acid pKa
18.20429
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.361705
LogD (pH = 7.4)
3.361705
Log P
3.361705
Molar Refractivity
84.6589
Polarizability
33.260063
Polar Surface Area
37.3
Rotatable Bonds
0
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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