Molecule

ID:70513

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₆O
Molecular Mass
258.39844
Exact Mass
258.19836545
Charge
0
InChI
InChI=1S/C18H26O/c1-11-8-16-15(9-14(11)13(3)19)17(4,5)10-12(2)18(16,6)7/h8-9,12H,10H2,1-7H3
InChIKey
DNRJTBAOUJJKDY-UHFFFAOYSA-N
Canonic Smiles
CC1CC(C)(C)c2c(C1(C)C)cc(c(c2)C(=O)C)C
Isomeric Smiles
C(=O)(C)c1cc2c(cc1C)C(C(CC2(C)C)C)(C)C
Calculated Properties
JChem
Acid pKa
16.298954
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.9577203
LogD (pH = 7.4)
4.9577203
Log P
4.9577203
Molar Refractivity
81.5802
Polarizability
31.551119
Polar Surface Area
17.07
Rotatable Bonds
1
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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