| Formal charge |
0
|
| Weight |
44.009
|
| LogP(o/w) |
-0.561
|
| SlogP |
-0.5835
|
| LogS |
0.60344
|
| SMR |
0.5007
|
| TPSA (A2) |
34.14
|
| Number of rings |
0
|
| Number of atoms |
3
|
| Chiral atoms |
0
|
| H-bond acceptor |
2
|
| H-bond donor |
0
|
| Acidic atoms |
0
|
| Basic atoms |
0
|
| Aromatic atoms |
0
|
| Heavy atoms |
3
|
| Number of bonds |
2
|
| Single bonds |
0
|
| Rotatable single bonds |
0
|
| Double bonds |
2
|
| Triple bonds |
0
|
| Aromatic bonds |
0
|
|
| Volume (A3) |
32.875
|
| ASA (A2) |
146.77
|
| VSA (A2) |
51.2867
|
| Density |
1.33868
|
| Diameter |
2
|
| Dipole (debye) |
0.000688722
|
| Globularity |
1.09419e-20
|
| Potential energy (kcal/mol) |
0.000542306
|
| angle bend energy |
1.91323e-05
|
| electrostatic energy |
0
|
| non-bond energy |
0
|
| out-of-plane energy |
0
|
| solvation energy |
-1.37239
|
| bond stretch-bend energy |
0
|
| torsion energy |
0
|
| Van del Waals energy |
0
|
|
