3,5-dinitro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
Formula:C16H12N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3,5-dinitro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide is a drug-like molecule.
| MolName | 3,5-dinitro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide |
| MolecularFormula | C16H12N4O5 |
| Smiles | [O-][N+](c1cc(C(N/N=C\C=C\c2ccccc2)=O)cc([N+]([O-])=O)c1)=O |
| InChI | InChI=1S/C16H12N4O5/c21-16(18-17-8-4-7-12-5-2-1-3-6-12)13-9-14(19(22)23)11-15(10-13)20(24)25/h1-11H,(H,18,21) |
| InChIK | TYQLVKOMMPEBQN-UHFFFAOYSA-N |
| TotalMolweight | 340.294 |
| Molweight | 340.294 |
| MonoisotopicMass | 340.080771 |
| CLogP | 1.3767 |
| CLogS | -4.933 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 260.83 |
| Relative PSA | 0.37131 |
| PolarSurfaceArea | 133.1 |
| Druglikeness | -0.71953 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 7 |
| AcidicOxygens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 3,5-dinitro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide | 2 - 3,5-dinitro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off