Molecule

ID:81534

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀O₂
Molecular Mass
174.1959
Exact Mass
174.06807956
Charge
0
InChI
InChI=1S/C11H10O2/c12-10-9-4-2-1-3-8(9)5-6-11(10)7-13-11/h1-4H,5-7H2
InChIKey
CHGPYGOJOAHIJX-UHFFFAOYSA-N
Canonic Smiles
O=C1c2ccccc2CCC21CO2
Isomeric Smiles
O1C2(C1)C(=O)c1ccccc1CC2
Calculated Properties
JChem
Polar Surface Area
29.6
Rotatable Bonds
0
Lipinski's Rule of Five
true
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9576182
LogD (pH = 7.4)
1.9576182
Log P
1.9576182
Molar Refractivity
48.5658
Polarizability
18.81567
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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