Molecule

ID:130652

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄O₃
Molecular Mass
194.22706
Exact Mass
194.09429431
Charge
0
InChI
InChI=1S/C11H14O3/c1-11(2,3)7-5-8(12)9(13)6-10(7)14-4/h5-6H,1-4H3
InChIKey
CWFFIAHHCALISQ-UHFFFAOYSA-N
Canonic Smiles
COC1=CC(=O)C(=O)C=C1C(C)(C)C
Isomeric Smiles
CC(C)(C)C1=CC(=O)C(=O)C=C1OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.0454688
LogD (pH = 7.4)
2.0454688
Log P
2.0454688
Molar Refractivity
55.7292
Polarizability
20.62309
Polar Surface Area
43.37
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
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References
Bioactivity
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