Molecule

ID:129379

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀O₄
Molecular Mass
264.3169
Exact Mass
264.13615912
Charge
0
InChI
InChI=1S/C15H20O4/c1-7-9(16)6-10-14(3)4-5-15(10,8(2)13(18)19)12(17)11(7)14/h7-8,10-11H,4-6H2,1-3H3,(H,18,19)
InChIKey
UNPYYTKZOHYHMZ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(C12CCC3(C2CC(=O)C(C3C1=O)C)C)C
Isomeric Smiles
O=C(O)C(C12C(=O)C3C(C(=O)CC1C3(CC2)C)C)C
Calculated Properties
JChem
Acid pKa
4.3382645
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.91907895
LogD (pH = 7.4)
-0.8269108
Log P
2.1078963
Molar Refractivity
67.9221
Polarizability
26.87865
Polar Surface Area
71.44
Rotatable Bonds
2
Lipinski's Rule of Five
true
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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