Molecule

ID:71013

General Information
Structure
MolImage
Molecular Formula
C₈H₆O₂
Molecular Mass
134.13204
Exact Mass
134.03677943
Charge
0
InChI
InChI=1S/C8H6O2/c9-5-7-2-1-3-8(4-7)6-10/h1-6H
InChIKey
IZALUMVGBVKPJD-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(c1)C=O
Isomeric Smiles
C(=O)c1cc(C=O)ccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3982505
LogD (pH = 7.4)
1.3982505
Log P
1.3982505
Molar Refractivity
39.226
Polarizability
14.114506
Polar Surface Area
34.14
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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