Molecule

ID:133805

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₄O₅
Molecular Mass
320.38016
Exact Mass
320.16237387
Charge
0
InChI
InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,14,19-21H,2,4-6,8-9H2,1H3/b7-3-/t12-,14+/m0/s1
InChIKey
FPQFYIAXQDXNOR-DJAXHYAWSA-N
Canonic Smiles
O[C@@H]1CCC/C=C\c2cc(O)cc(c2C(=O)O[C@H](CCC1)C)O
Isomeric Smiles
C[C@H]1CCC[C@@H](CCC/C=C\c2cc(cc(c2C(=O)O1)O)O)O
Calculated Properties
JChem
Acid pKa
8.537725
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
4.16627
LogD (pH = 7.4)
4.136334
Log P
4.1666646
Molar Refractivity
89.3676
Polarizability
34.10992
Polar Surface Area
86.99
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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