Molecule

ID:18831

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O₂
Molecular Mass
162.1852
Exact Mass
162.06807956
Charge
0
InChI
InChI=1S/C10H10O2/c11-7-8-3-4-10-9(6-8)2-1-5-12-10/h3-4,6-7H,1-2,5H2
InChIKey
YIHDTNNFJDJYRG-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc2c(c1)CCCO2
Isomeric Smiles
c12c(OCCC2)ccc(c1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0125341
LogD (pH = 7.4)
2.0125341
Log P
2.0125341
Molar Refractivity
47.0158
Polarizability
17.613565
Polar Surface Area
26.3
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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