Molecule

ID:111946

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀O
Molecular Mass
134.1751
Exact Mass
134.07316494
Charge
0
InChI
InChI=1S/C9H10O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9-10H,5-6H2/t9-/m0/s1
InChIKey
YIAPLDFPUUJILH-VIFPVBQESA-N
Canonic Smiles
O[C@H]1CCc2c1cccc2
Isomeric Smiles
O[C@H]1CCc2ccccc12
Calculated Properties
JChem
LogD (pH = 7.4)
1.75
LogD (pH = 5.5)
1.75
Log P
1.75
Rotatable Bonds
0
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
14.48
Polar Surface Area
20.23
Polarizability
14.97
Molar Refractivity
40.45
LOG S
-1.51
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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