N-[(Z)-[1-(4-bromophenyl)pyrrol-2-yl]methylideneamino]-3-(trifluoromethyl)benzamide
Formula:C19H13N3OBrF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-(4-bromophenyl)pyrrol-2-yl]methylideneamino]-3-(trifluoromethyl)benzamide is not a drug-like molecule.
| MolName | N-[(Z)-[1-(4-bromophenyl)pyrrol-2-yl]methylideneamino]-3-(trifluoromethyl)benzamide |
| MolecularFormula | C19H13N3OBrF3 |
| Smiles | O=C(c1cc(C(F)(F)F)ccc1)N/N=C\c1cccn1-c(cc1)ccc1Br |
| InChI | InChI=1S/C19H13BrF3N3O/c20-15-6-8-16(9-7-15)26-10-2-5-17(26)12-24-25-18(27)13-3-1-4-14(11-13)19(21,22)23/h1-12H,(H,25,27) |
| InChIK | GCQRWFUXBFPMER-UHFFFAOYSA-N |
| TotalMolweight | 436.23 |
| Molweight | 436.23 |
| MonoisotopicMass | 435.019407 |
| CLogP | 5.014 |
| CLogS | -7.67 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 284.04 |
| Relative PSA | 0.15096 |
| PolarSurfaceArea | 46.39 |
| Druglikeness | -3.5136 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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