Molecule

ID:54233

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O
Molecular Mass
146.1858
Exact Mass
146.07316494
Charge
0
InChI
InChI=1S/C10H10O/c1-7-6-10(11)9-5-3-2-4-8(7)9/h2-5,7H,6H2,1H3
InChIKey
XVTQSYKCADSUHN-UHFFFAOYSA-N
Canonic Smiles
O=C1CC(c2c1cccc2)C
Isomeric Smiles
c1ccc2c(c1)C(CC2=O)C
Calculated Properties
JChem
Acid pKa
16.751389
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.1235752
LogD (pH = 7.4)
2.1235752
Log P
2.1235752
Molar Refractivity
44.2743
Polarizability
17.023655
Polar Surface Area
17.07
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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