Molecule

ID:84683

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁NO
Molecular Mass
149.18974
Exact Mass
149.08406398
Charge
0
InChI
InChI=1S/C9H11NO/c1-7-3-5-9(6-4-7)10-8(2)11/h3-6H,1-2H3,(H,10,11)
InChIKey
YICAMJWHIUMFDI-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1ccc(cc1)C
Isomeric Smiles
N(c1ccc(cc1)C)C(=O)C
Calculated Properties
JChem
LogD (pH = 7.4)
1.72
LogD (pH = 5.5)
1.72
Log P
1.72
Rotatable Bonds
1
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
14.76
Polar Surface Area
29.10
Polarizability
16.74
Molar Refractivity
45.96
LOG S
-2.05
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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