Molecule

ID:17104

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈O₂
Molecular Mass
160.16932
Exact Mass
160.0524295
Charge
0
InChI
InChI=1S/C10H8O2/c1-7-8-4-2-3-5-9(8)12-10(7)6-11/h2-6H,1H3
InChIKey
UBJKHRKGYBTDIA-UHFFFAOYSA-N
Canonic Smiles
O=Cc1oc2c(c1C)cccc2
Isomeric Smiles
c12c(c(c(o1)C=O)C)cccc2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.278294
LogD (pH = 7.4)
2.278294
Log P
2.278294
Molar Refractivity
46.4018
Polarizability
18.383215
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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