Molecule

ID:75192

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O
Molecular Mass
146.1858
Exact Mass
146.07316494
Charge
0
InChI
InChI=1S/C10H10O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6H,3,5,7H2
InChIKey
XHLHPRDBBAGVEG-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCc2c1cccc2
Isomeric Smiles
O=C1c2ccccc2CCC1
Calculated Properties
JChem
Acid pKa
16.697168
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.2811246
LogD (pH = 7.4)
2.2811246
Log P
2.2811246
Molar Refractivity
44.3267
Polarizability
17.024166
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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