Molecule

ID:80938

General Information
Structure
Molecular Formula
C₁₄H₁₆O₃
Molecular Mass
232.27504
Exact Mass
232.10994437
Charge
0
InChI
InChI=1S/C14H16O3/c1-8-5-9(2)11-10(6-8)7-14(3,4)13(16)17-12(11)15/h5-6H,7H2,1-4H3
InChIKey
SYSRZXPYXBNSJG-UHFFFAOYSA-N
Canonic Smiles
Cc1cc2CC(C)(C)C(=O)OC(=O)c2c(c1)C
Isomeric Smiles
O1C(=O)c2c(cc(cc2CC(C1=O)(C)C)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.973161
LogD (pH = 7.4)
3.973161
Log P
3.973161
Molar Refractivity
65.1753
Polarizability
24.985632
Polar Surface Area
43.37
Rotatable Bonds
0
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
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References
Bioactivity
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