Molecule

ID:24950

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀O₄
Molecular Mass
252.3062
Exact Mass
252.13615912
Charge
0
InChI
InChI=1S/C14H20O4/c15-11(16)6-13-2-9-1-10(4-13)5-14(3-9,8-13)7-12(17)18/h9-10H,1-8H2,(H,15,16)(H,17,18)
InChIKey
UTENGZNBNPABQE-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC12CC3CC(C1)CC(C2)(C3)CC(=O)O
Isomeric Smiles
C12(CC3(CC(=O)O)CC(C1)CC(C3)C2)CC(=O)O
Calculated Properties
JChem
Acid pKa
4.1323175
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.38257393
LogD (pH = 7.4)
-3.892717
Log P
1.7367846
Molar Refractivity
63.679
Polarizability
25.415436
Polar Surface Area
74.6
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
No Data Available
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Molecule Details
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References
Bioactivity
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