11-(4-hydroxybutoxy)-N-[(Z)-pyridin-3-ylmethylideneamino]undecanamide
Formula:C21H35N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
11-(4-hydroxybutoxy)-N-[(Z)-pyridin-3-ylmethylideneamino]undecanamide is a drug-like molecule.
| MolName | 11-(4-hydroxybutoxy)-N-[(Z)-pyridin-3-ylmethylideneamino]undecanamide |
| MolecularFormula | C21H35N3O3 |
| Smiles | OCCCCOCCCCCCCCCCC(N/N=C\c1cnccc1)=O |
| InChI | InChI=1S/C21H35N3O3/c25-15-8-10-17-27-16-9-6-4-2-1-3-5-7-13-21(26)24-23-19-20-12-11-14-22-18-20/h11-12,14,18-19,25H,1-10,13,15-17H2,(H,24,26) |
| InChIK | KAVNNVXVBBNTBF-UHFFFAOYSA-N |
| TotalMolweight | 377.527 |
| Molweight | 377.527 |
| MonoisotopicMass | 377.267842 |
| CLogP | 4.7361 |
| CLogS | -4.14 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 334.98 |
| Relative PSA | 0.20921 |
| PolarSurfaceArea | 83.81 |
| Druglikeness | -15.103 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.88889 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 17 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 16 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 11-(4-hydroxybutoxy)-N-[(Z)-pyridin-3-ylmethylideneamino]undecanamide | 2 - 11-(4-hydroxybutoxy)-N-[(Z)-pyridin-3-ylmethylideneamino]undecanamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off