N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-3-(trifluoromethyl)benzamide
Formula:C15H9N3O3ClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-3-(trifluoromethyl)benzamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-3-(trifluoromethyl)benzamide |
| MolecularFormula | C15H9N3O3ClF3 |
| Smiles | [O-][N+](c(cc1)cc(/C=N\NC(c2cc(C(F)(F)F)ccc2)=O)c1Cl)=O |
| InChI | InChI=1S/C15H9ClF3N3O3/c16-13-5-4-12(22(24)25)7-10(13)8-20-21-14(23)9-2-1-3-11(6-9)15(17,18)19/h1-8H,(H,21,23) |
| InChIK | GLYDABMTEWYWOK-UHFFFAOYSA-N |
| TotalMolweight | 371.701 |
| Molweight | 371.701 |
| MonoisotopicMass | 371.028453 |
| CLogP | 3.7343 |
| CLogS | -5.695 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 255.54 |
| Relative PSA | 0.25996 |
| PolarSurfaceArea | 87.28 |
| Druglikeness | -7.9212 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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