Molecule

ID:119563

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₆O₂
Molecular Mass
238.36574
Exact Mass
238.19328007
Charge
0
InChI
InChI=1S/C15H26O2/c1-11(2)7-9-15(10-8-12(3)4)13(5)17-14(6)16/h7-8,13,15H,9-10H2,1-6H3
InChIKey
AYRLXIFWRSBIRI-UHFFFAOYSA-N
Canonic Smiles
CC(=CCC(C(OC(=O)C)C)CC=C(C)C)C
Isomeric Smiles
O(C(=O)C)C(C(CC=C(C)C)CC=C(C)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.0137177
LogD (pH = 7.4)
4.0137177
Log P
4.0137177
Molar Refractivity
73.979
Polarizability
28.65341
Polar Surface Area
26.3
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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