N-[(Z)-(3-bromophenyl)methylideneamino]-2-pyrrol-1-ylbenzamide
Formula:C18H14N3OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-bromophenyl)methylideneamino]-2-pyrrol-1-ylbenzamide is a drug-like molecule.
| MolName | N-[(Z)-(3-bromophenyl)methylideneamino]-2-pyrrol-1-ylbenzamide |
| MolecularFormula | C18H14N3OBr |
| Smiles | O=C(c(cccc1)c1-n1cccc1)N/N=C\c1cccc(Br)c1 |
| InChI | InChI=1S/C18H14BrN3O/c19-15-7-5-6-14(12-15)13-20-21-18(23)16-8-1-2-9-17(16)22-10-3-4-11-22/h1-13H,(H,21,23) |
| InChIK | UZACUIRIYIXKGF-UHFFFAOYSA-N |
| TotalMolweight | 368.233 |
| Molweight | 368.233 |
| MonoisotopicMass | 367.032023 |
| CLogP | 4.1117 |
| CLogS | -6.868 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 254.58 |
| Relative PSA | 0.16843 |
| PolarSurfaceArea | 46.39 |
| Druglikeness | 3.3048 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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