Molecule

ID:75978

General Information
Structure
MolImage
Molecular Formula
C₆H₆O₂
Molecular Mass
110.11064
Exact Mass
110.03677943
Charge
0
InChI
InChI=1S/C6H6O2/c1-5-6(4-7)2-3-8-5/h2-4H,1H3
InChIKey
WBFUBNWKSDINIX-UHFFFAOYSA-N
Canonic Smiles
Cc1occc1C=O
Isomeric Smiles
o1ccc(c1C)C=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.025555
LogD (pH = 7.4)
1.025555
Log P
1.025555
Molar Refractivity
30.3051
Polarizability
10.880358
Polar Surface Area
30.21
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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