Molecule

ID:53672

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈O₂
Molecular Mass
160.16932
Exact Mass
160.0524295
Charge
0
InChI
InChI=1S/C10H8O2/c1-3-8-4-6-9(7-5-8)10(11)12-2/h1,4-7H,2H3
InChIKey
JPGRSTBIEYGVNO-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)C#C
Isomeric Smiles
C(=O)(c1ccc(cc1)C#C)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.127558
LogD (pH = 7.4)
2.127558
Log P
2.127558
Molar Refractivity
43.2556
Polarizability
17.319595
Polar Surface Area
26.3
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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