Molecule

ID:58157

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃NO
Molecular Mass
151.20562
Exact Mass
151.09971404
Charge
0
InChI
InChI=1S/C9H13NO/c1-10-7-8-4-3-5-9(6-8)11-2/h3-6,10H,7H2,1-2H3
InChIKey
FIFKRPFWLHBMHL-UHFFFAOYSA-N
Canonic Smiles
CNCc1cccc(c1)OC
Isomeric Smiles
c1cc(cc(c1)CNC)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.8016533
LogD (pH = 7.4)
-0.7208889
Log P
1.3739234
Molar Refractivity
45.7692
Polarizability
18.066748
Polar Surface Area
21.26
Rotatable Bonds
3
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