Molecule

ID:109884

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁NO
Molecular Mass
149.18974
Exact Mass
149.08406398
Charge
0
InChI
InChI=1S/C9H11NO/c1-10(2)9(11)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKey
IMNDHOCGZLYMRO-UHFFFAOYSA-N
Canonic Smiles
CN(C(=O)c1ccccc1)C
Isomeric Smiles
CN(C)C(=O)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.2712381
LogD (pH = 7.4)
1.2712382
Log P
1.2712382
Molar Refractivity
44.9298
Polarizability
16.840927
Polar Surface Area
20.31
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation