3-nitro-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide
Formula:C15H10N3O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-nitro-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide is a drug-like molecule.
| MolName | 3-nitro-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide |
| MolecularFormula | C15H10N3O3F3 |
| Smiles | [O-][N+](c1cccc(C(N/N=C\c2ccc(C(F)(F)F)cc2)=O)c1)=O |
| InChI | InChI=1S/C15H10F3N3O3/c16-15(17,18)12-6-4-10(5-7-12)9-19-20-14(22)11-2-1-3-13(8-11)21(23)24/h1-9H,(H,20,22) |
| InChIK | XKDMDBORBLASNN-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 | 0.625 |
| 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 | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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