Molecule

ID:12958

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀O₃
Molecular Mass
190.1953
Exact Mass
190.06299418
Charge
0
InChI
InChI=1S/C11H10O3/c1-3-6-14-10-5-4-9(8-12)7-11(10)13-2/h1,4-5,7-8H,6H2,2H3
InChIKey
PKPPALIWMCCRFK-UHFFFAOYSA-N
Canonic Smiles
C#CCOc1ccc(cc1OC)C=O
Isomeric Smiles
c1c(c(cc(c1)C=O)OC)OCC#C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.5984887
LogD (pH = 7.4)
1.5984887
Log P
1.5984887
Molar Refractivity
53.1486
Polarizability
19.849018
Polar Surface Area
35.53
Rotatable Bonds
4
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
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Molecule Details
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References
Bioactivity
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