(E)-N-[(Z)-benzylideneamino]-2-cyano-3-(3-nitrophenyl)prop-2-enamide
Formula:C17H12N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[(Z)-benzylideneamino]-2-cyano-3-(3-nitrophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[(Z)-benzylideneamino]-2-cyano-3-(3-nitrophenyl)prop-2-enamide |
| MolecularFormula | C17H12N4O3 |
| Smiles | N#C/C(/C(N/N=C\c1ccccc1)=O)=C\c1cccc([N+]([O-])=O)c1 |
| InChI | InChI=1S/C17H12N4O3/c18-11-15(9-14-7-4-8-16(10-14)21(23)24)17(22)20-19-12-13-5-2-1-3-6-13/h1-10,12H,(H,20,22) |
| InChIK | MPEXTTQMZBKZLA-UHFFFAOYSA-N |
| TotalMolweight | 320.307 |
| Molweight | 320.307 |
| MonoisotopicMass | 320.090941 |
| CLogP | 2.4612 |
| CLogS | -4.823 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 257.08 |
| Relative PSA | 0.31115 |
| PolarSurfaceArea | 111.07 |
| Druglikeness | -4.1306 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-N-[(Z)-benzylideneamino]-2-cyano-3-(3-nitrophenyl)prop-2-enamide | 2 - (E)-N-[(Z)-benzylideneamino]-2-cyano-3-(3-nitrophenyl)prop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off