N'-[(Z)-(3-nitrophenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide
Formula:C17H13N4O4F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(3-nitrophenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide is a drug-like molecule.
| MolName | N'-[(Z)-(3-nitrophenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide |
| MolecularFormula | C17H13N4O4F3 |
| Smiles | [O-][N+](c1cccc(/C=N\NC(CC(Nc2cccc(C(F)(F)F)c2)=O)=O)c1)=O |
| InChI | InChI=1S/C17H13F3N4O4/c18-17(19,20)12-4-2-5-13(8-12)22-15(25)9-16(26)23-21-10-11-3-1-6-14(7-11)24(27)28/h1-8,10H,9H2,(H,22,25)(H,23,26) |
| InChIK | DDMRKMAGYHPNJN-UHFFFAOYSA-N |
| TotalMolweight | 394.308 |
| Molweight | 394.308 |
| MonoisotopicMass | 394.08889 |
| CLogP | 2.525 |
| CLogS | -5.033 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 283.09 |
| Relative PSA | 0.32121 |
| PolarSurfaceArea | 116.38 |
| Druglikeness | -10.272 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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