Molecule

ID:43025

General Information
Structure
MolImage
Molecular Formula
C₉H₉NO
Molecular Mass
147.17386
Exact Mass
147.06841391
Charge
0
InChI
InChI=1S/C9H9NO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H2,10,11)/b7-6+
InChIKey
APEJMQOBVMLION-VOTSOKGWSA-N
Canonic Smiles
NC(=O)/C=C/c1ccccc1
Isomeric Smiles
C(=O)(/C=C/c1ccccc1)N
Calculated Properties
JChem
LogD (pH = 7.4)
1.33
LogD (pH = 5.5)
1.33
Log P
1.33
Rotatable Bonds
2
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-0.15
Polar Surface Area
43.09
Polarizability
15.88
Molar Refractivity
44.88
LOG S
-2.16
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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