Molecule

ID:106160

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈O₄
Molecular Mass
250.29032
Exact Mass
250.12050906
Charge
0
InChI
InChI=1S/C14H18O4/c1-7-8(2)12-10(9(3)11(7)15)5-6-14(4,18-12)13(16)17/h15H,5-6H2,1-4H3,(H,16,17)
InChIKey
GLEVLJDDWXEYCO-UHFFFAOYSA-N
Canonic Smiles
Cc1c2OC(C)(CCc2c(c(c1C)O)C)C(=O)O
Isomeric Smiles
Cc1c(O)c(C)c2CCC(C)(Oc2c1C)C(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
0.38
LogD (pH = 5.5)
1.92
Log P
3.66
Rotatable Bonds
1
H Donor
2
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
3.77
Polar Surface Area
66.76
Polarizability
26.80
Molar Refractivity
68.08
LOG S
-2.92
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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