Molecule

ID:128907

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀O₅
Molecular Mass
280.3163
Exact Mass
280.13107374
Charge
0
InChI
InChI=1S/C15H20O5/c1-10(6-12(17)18)4-5-15(19)13(2)7-11(16)8-14(15,3)20-9-13/h4-6,19H,7-9H2,1-3H3,(H,17,18)/t13-,14-,15+/m1/s1
InChIKey
IZGYIFFQBZWOLJ-KFWWJZLASA-N
Canonic Smiles
OC(=O)/C=C(/C=C/[C@]1(O)[C@@]2(C)CO[C@]1(C)CC(=O)C2)\C
Isomeric Smiles
C/C(=C\C(=O)O)/C=C/[C@]1(O)[C@@]2(C)CO[C@]1(C)CC(=O)C2
Calculated Properties
JChem
Acid pKa
4.5256824
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-0.07820473
LogD (pH = 7.4)
-1.849404
Log P
0.9386962
Molar Refractivity
73.8654
Polarizability
28.368092
Polar Surface Area
83.83
Rotatable Bonds
3
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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