N-[(Z)-benzylideneamino]-3-pyrrol-1-ylthiophene-2-carboxamide
Formula:C16H13N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-3-pyrrol-1-ylthiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-3-pyrrol-1-ylthiophene-2-carboxamide |
| MolecularFormula | C16H13N3OS |
| Smiles | O=C(c(scc1)c1-n1cccc1)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C16H13N3OS/c20-16(18-17-12-13-6-2-1-3-7-13)15-14(8-11-21-15)19-9-4-5-10-19/h1-12H,(H,18,20) |
| InChIK | BZXRGZGPWMVJIQ-UHFFFAOYSA-N |
| TotalMolweight | 295.365 |
| Molweight | 295.365 |
| MonoisotopicMass | 295.077932 |
| CLogP | 3.2531 |
| CLogS | -6.044 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 231.89 |
| Relative PSA | 0.27272 |
| PolarSurfaceArea | 74.63 |
| Druglikeness | 6.3575 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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