Molecule

ID:102436

General Information
Structure
Molecular Formula
C₂₀H₂₄O₂
Molecular Mass
296.40336
Exact Mass
296.17763001
Charge
0
InChI
InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3
InChIKey
BFPYWIDHMRZLRN-UHFFFAOYSA-N
Canonic Smiles
C#CC1(O)CCC2C1(C)CCC1C2CCc2c1ccc(c2)O
Isomeric Smiles
CC12CCC3C(CCc4c3ccc(O)c4)C1CCC2(O)C#C
Calculated Properties
JChem
Acid pKa
10.327054
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.8973467
LogD (pH = 7.4)
3.8968425
Log P
3.8973532
Molar Refractivity
87.3745
Polarizability
33.896633
Polar Surface Area
40.46
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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