Molecule

ID:17220

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀O₂
Molecular Mass
174.1959
Exact Mass
174.06807956
Charge
0
InChI
InChI=1S/C11H10O2/c1-7-3-4-10-9(5-7)8(2)11(6-12)13-10/h3-6H,1-2H3
InChIKey
TYIPIMZOCMOZOM-UHFFFAOYSA-N
Canonic Smiles
O=Cc1oc2c(c1C)cc(cc2)C
Isomeric Smiles
c12c(oc(c1C)C=O)ccc(c2)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7917154
LogD (pH = 7.4)
2.7917154
Log P
2.7917154
Molar Refractivity
51.443
Polarizability
20.14803
Polar Surface Area
30.21
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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