Molecule

ID:5310

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀O₂
Molecular Mass
186.2066
Exact Mass
186.06807956
Charge
0
InChI
InChI=1S/C12H10O2/c1-7-8(2)12(14)10-6-4-3-5-9(10)11(7)13/h3-6H,1-2H3
InChIKey
LGFDNUSAWCHVJN-UHFFFAOYSA-N
Canonic Smiles
O=C1C(=C(C)C(=O)c2c1cccc2)C
Isomeric Smiles
C1(=C(C(=O)c2c(C1=O)cccc2)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.285419
LogD (pH = 7.4)
2.285419
Log P
2.285419
Molar Refractivity
54.8974
Polarizability
20.50951
Polar Surface Area
34.14
Rotatable Bonds
0
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
2.3
LOG S
-2.78
Solubility (Water)
3.12e-01 g/l
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
References
Bioactivity
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