N-[(Z)-(4-chlorophenyl)methylideneamino]-3-pyrrol-1-ylthiophene-2-carboxamide
Formula:C16H12N3OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chlorophenyl)methylideneamino]-3-pyrrol-1-ylthiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-chlorophenyl)methylideneamino]-3-pyrrol-1-ylthiophene-2-carboxamide |
| MolecularFormula | C16H12N3OClS |
| Smiles | O=C(c(scc1)c1-n1cccc1)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C16H12ClN3OS/c17-13-5-3-12(4-6-13)11-18-19-16(21)15-14(7-10-22-15)20-8-1-2-9-20/h1-11H,(H,19,21) |
| InChIK | BTCFAVHDFYNYGR-UHFFFAOYSA-N |
| TotalMolweight | 329.81 |
| Molweight | 329.81 |
| MonoisotopicMass | 329.038959 |
| CLogP | 3.8591 |
| CLogS | -6.78 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 247.31 |
| Relative PSA | 0.25571 |
| PolarSurfaceArea | 74.63 |
| Druglikeness | 6.3817 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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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