Molecule

ID:70144

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀O
Molecular Mass
134.1751
Exact Mass
134.07316494
Charge
0
InChI
InChI=1S/C9H10O/c1-7-4-3-5-9(6-10)8(7)2/h3-6H,1-2H3
InChIKey
UIFVCPMLQXKEEU-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(c1C)C
Isomeric Smiles
C(=O)c1c(c(ccc1)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.712591
LogD (pH = 7.4)
2.712591
Log P
2.712591
Molar Refractivity
42.7244
Polarizability
15.761101
Polar Surface Area
17.07
Rotatable Bonds
1
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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