Molecule

ID:91114

General Information
Structure
MolImage
Molecular Formula
C₆H₇NO
Molecular Mass
109.12588
Exact Mass
109.05276385
Charge
0
InChI
InChI=1S/C6H7NO/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
InChIKey
IWYYIZOHWPCALJ-UHFFFAOYSA-N
Canonic Smiles
[O-][n+]1ccc(cc1)C
Isomeric Smiles
[n+]1(ccc(cc1)C)[O-]
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.0088070445
LogD (pH = 7.4)
0.008837462
Log P
0.008837851
Molar Refractivity
32.2546
Polarizability
11.65117
Polar Surface Area
26.94
Rotatable Bonds
0
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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