Molecule

ID:125110

General Information
Structure
MolImage
Molecular Formula
C₄H₄O₂
Molecular Mass
84.07336
Exact Mass
84.02112937
Charge
0
InChI
InChI=1S/C4H4O2/c1-2-4-6-5-3-1/h1-4H
InChIKey
VCZQYTJRWNRPHF-UHFFFAOYSA-N
Canonic Smiles
O1OC=CC=C1
Isomeric Smiles
O1OC=CC=C1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.7384746
LogD (pH = 7.4)
0.7384746
Log P
0.7384746
Molar Refractivity
21.821
Polarizability
8.287664
Polar Surface Area
18.46
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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