N-[(Z)-[1-(3-nitrophenyl)pyrrol-2-yl]methylideneamino]-3-(trifluoromethyl)benzamide
Formula:C19H13N4O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-(3-nitrophenyl)pyrrol-2-yl]methylideneamino]-3-(trifluoromethyl)benzamide is a drug-like molecule.
| MolName | N-[(Z)-[1-(3-nitrophenyl)pyrrol-2-yl]methylideneamino]-3-(trifluoromethyl)benzamide |
| MolecularFormula | C19H13N4O3F3 |
| Smiles | [O-][N+](c1cccc(-n2c(/C=N\NC(c3cccc(C(F)(F)F)c3)=O)ccc2)c1)=O |
| InChI | InChI=1S/C19H13F3N4O3/c20-19(21,22)14-5-1-4-13(10-14)18(27)24-23-12-17-8-3-9-25(17)15-6-2-7-16(11-15)26(28)29/h1-12H,(H,24,27) |
| InChIK | JMMGYOQMDJSFKV-UHFFFAOYSA-N |
| TotalMolweight | 402.331 |
| Molweight | 402.331 |
| MonoisotopicMass | 402.093975 |
| CLogP | 3.3672 |
| CLogS | -7.296 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 289.08 |
| Relative PSA | 0.25356 |
| PolarSurfaceArea | 92.21 |
| Druglikeness | -6.8575 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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