Molecule

ID:56099

General Information
Structure
Molecular Formula
C₁₄H₁₄O₃
Molecular Mass
230.25916
Exact Mass
230.09429431
Charge
0
InChI
InChI=1S/C14H14O3/c15-13-11-7-6-10(8-12(11)14(16)17-13)9-4-2-1-3-5-9/h1-5,10-12H,6-8H2
InChIKey
LZYYSHYKQSQTRW-UHFFFAOYSA-N
Canonic Smiles
O=C1OC(=O)C2C1CC(CC2)c1ccccc1
Isomeric Smiles
c1cccc(c1)C1CCC2C(C1)C(=O)OC2=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.667896
LogD (pH = 7.4)
2.667896
Log P
2.667896
Molar Refractivity
61.524
Polarizability
24.443296
Polar Surface Area
43.37
Rotatable Bonds
1
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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