Molecule

ID:26127

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀O₃
Molecular Mass
190.1953
Exact Mass
190.06299418
Charge
0
InChI
InChI=1S/C11H10O3/c12-7-8-1-5-10(6-2-8)14-11(13)9-3-4-9/h1-2,5-7,9H,3-4H2
InChIKey
FOPSRGQJZYJXAF-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)OC(=O)C1CC1
Isomeric Smiles
C(=O)(C1CC1)Oc1ccc(C=O)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0728054
LogD (pH = 7.4)
2.0728054
Log P
2.0728054
Molar Refractivity
51.1736
Polarizability
19.61307
Polar Surface Area
43.37
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
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Molecule Details
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References
Bioactivity
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