Molecule

ID:103642

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁NO
Molecular Mass
149.18974
Exact Mass
149.08406398
Charge
0
InChI
InChI=1S/C9H11NO/c1-10(2)9-5-3-8(7-11)4-6-9/h3-7H,1-2H3
InChIKey
BGNGWHSBYQYVRX-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)N(C)C
Isomeric Smiles
CN(C)c1ccc(C=O)cc1
Calculated Properties
JChem
LogD (pH = 7.4)
1.79
LogD (pH = 5.5)
1.79
Log P
1.79
Rotatable Bonds
2
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
3.48
Polar Surface Area
20.31
Polarizability
16.57
Molar Refractivity
47.07
LOG S
-1.19
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
Loading...
References
Loading...
Bioactivity
Loading...