2-nitro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]benzamide
Formula:C15H10N3O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-nitro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]benzamide is a drug-like molecule.
| MolName | 2-nitro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]benzamide |
| MolecularFormula | C15H10N3O3F3 |
| Smiles | [O-][N+](c(cccc1)c1C(N/N=C\c1c(C(F)(F)F)cccc1)=O)=O |
| InChI | InChI=1S/C15H10F3N3O3/c16-15(17,18)12-7-3-1-5-10(12)9-19-20-14(22)11-6-2-4-8-13(11)21(23)24/h1-9H,(H,20,22) |
| InChIK | UCTFPKXNXMPIQO-UHFFFAOYSA-N |
| TotalMolweight | 337.256 |
| Molweight | 337.256 |
| MonoisotopicMass | 337.067426 |
| CLogP | 3.1283 |
| CLogS | -4.959 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 240.12 |
| Relative PSA | 0.27665 |
| PolarSurfaceArea | 87.28 |
| Druglikeness | -7.943 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-nitro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]benzamide | 2 - 2-nitro-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off