Molecule

ID:106112

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉O₅
Molecular Mass
279.30836
Exact Mass
279.12324871
Charge
0
InChI
InChI=1S/C15H19O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h3,6-11,16-17,19-20H,1-2,4-5H2
InChIKey
BRHRYXVDBHZATH-UHFFFAOYSA-N
Canonic Smiles
OC1CCC(CC1)/C=C/C(=O)C1=[C](=CC(C=C1O)O)O
Isomeric Smiles
OC1CCC(CC1)/C=C/C(=O)C1=[C](=CC(O)C=C1O)O
Calculated Properties
JChem
H Acceptors
0
H Donor
0
Molar Refractivity
86.8629
Polar Surface Area
97.99
Rotatable Bonds
3
Lipinski's Rule of Five
false
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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