Molecule

ID:127938

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₆O₃
Molecular Mass
266.37584
Exact Mass
266.18819469
Charge
0
InChI
InChI=1S/C16H26O3/c1-11(2)9-15(17)10-12(3)13-5-7-14(8-6-13)16(18)19-4/h7,11-13H,5-6,8-10H2,1-4H3/t12-,13+/m1/s1
InChIKey
IIWNDLDEVPJIBT-OLZOCXBDSA-N
Canonic Smiles
COC(=O)C1=CC[C@@H](CC1)[C@@H](CC(=O)CC(C)C)C
Isomeric Smiles
O=C(C[C@@H](C)[C@@H]1CCC(=CC1)C(=O)OC)CC(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.0244546
LogD (pH = 7.4)
4.0244546
Log P
4.0244546
Molar Refractivity
76.7831
Polarizability
30.063887
Polar Surface Area
43.37
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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