Molecule

ID:59968

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₀O₅
Molecular Mass
328.3591
Exact Mass
328.13107374
Charge
0
InChI
InChI=1S/C19H20O5/c1-10-11(5-6-17(20)21)18(22)24-16-8-15-13(7-12(10)16)14(9-23-15)19(2,3)4/h7-9H,5-6H2,1-4H3,(H,20,21)
InChIKey
RSZGOILSNWBLCB-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCc1c(=O)oc2c(c1C)cc1c(c2)occ1C(C)(C)C
Isomeric Smiles
c1(c(c2c(oc1=O)cc1c(c(co1)C(C)(C)C)c2)C)CCC(=O)O
Calculated Properties
JChem
Acid pKa
4.2499285
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.4798286
LogD (pH = 7.4)
0.75250876
Log P
3.75138
Molar Refractivity
88.5621
Polarizability
35.237144
Polar Surface Area
76.74
Rotatable Bonds
4
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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