Molecule

ID:80494

General Information
Structure
MolImage
Molecular Formula
C₅H₄O₂
Molecular Mass
96.08406
Exact Mass
96.02112937
Charge
0
InChI
InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H
InChIKey
HYBBIBNJHNGZAN-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccco1
Isomeric Smiles
o1cccc1C=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.7459948
LogD (pH = 7.4)
0.7459948
Log P
0.7459948
Molar Refractivity
25.0329
Polarizability
9.127554
Polar Surface Area
30.21
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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