N-[(Z)-cyclohex-3-en-1-ylmethylideneamino]-3-phenylpropanamide
Formula:C16H20N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-cyclohex-3-en-1-ylmethylideneamino]-3-phenylpropanamide is a drug-like molecule.
| MolName | N-[(Z)-cyclohex-3-en-1-ylmethylideneamino]-3-phenylpropanamide |
| MolecularFormula | C16H20N2O |
| Smiles | O=C(CCc1ccccc1)N/N=C\C1CC=CCC1 |
| InChI | InChI=1S/C16H20N2O/c19-16(12-11-14-7-3-1-4-8-14)18-17-13-15-9-5-2-6-10-15/h1-5,7-8,13,15H,6,9-12H2,(H,18,19)/t15-/m1/s1 |
| InChIK | XZAYVVKLXRWOIV-OAHLLOKOSA-N |
| TotalMolweight | 256.348 |
| Molweight | 256.348 |
| MonoisotopicMass | 256.157563 |
| CLogP | 2.9681 |
| CLogS | -3.806 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 221.53 |
| Relative PSA | 0.16255 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | -0.63069 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73684 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - N-[(Z)-cyclohex-3-en-1-ylmethylideneamino]-3-phenylpropanamide | 2 - N-[(Z)-cyclohex-3-en-1-ylmethylideneamino]-3-phenylpropanamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off