Molecule

ID:108053

General Information
Structure
MolImage
Molecular Formula
C₇H₇NO
Molecular Mass
121.13658
Exact Mass
121.05276385
Charge
0
InChI
InChI=1S/C7H7NO/c9-6-8-7-4-2-1-3-5-7/h1-6H,(H,8,9)
InChIKey
DYDNPESBYVVLBO-UHFFFAOYSA-N
Canonic Smiles
O=CNc1ccccc1
Isomeric Smiles
O=CNc1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
1.16
LogD (pH = 5.5)
1.16
Log P
1.16
Rotatable Bonds
1
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
15.24
Polar Surface Area
29.10
Polarizability
12.46
Molar Refractivity
36.43
LOG S
-1.22
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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