Molecule

ID:110348

General Information
Structure
MolImage
Molecular Formula
C₇H₆O₂
Molecular Mass
122.12134
Exact Mass
122.03677943
Charge
0
InChI
InChI=1S/C7H6O2/c8-5-1-3-7-4-2-6-9-7/h1-6H
InChIKey
VZIRCHXYMBFNFD-UHFFFAOYSA-N
Canonic Smiles
O=C/C=C/c1ccco1
Isomeric Smiles
O=C/C=C/c1ccco1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.0377166
LogD (pH = 7.4)
1.0377166
Log P
1.0377166
Molar Refractivity
34.5254
Polarizability
12.627066
Polar Surface Area
30.21
Rotatable Bonds
2
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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