N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-pyrrol-1-ylthiophene-2-carboxamide
Formula:C16H11N3OCl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-pyrrol-1-ylthiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-pyrrol-1-ylthiophene-2-carboxamide |
| MolecularFormula | C16H11N3OCl2S |
| Smiles | O=C(c(scc1)c1-n1cccc1)N/N=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C16H11Cl2N3OS/c17-12-4-3-11(13(18)9-12)10-19-20-16(22)15-14(5-8-23-15)21-6-1-2-7-21/h1-10H,(H,20,22) |
| InChIK | BTPVJABAPNMTRA-UHFFFAOYSA-N |
| TotalMolweight | 364.255 |
| Molweight | 364.255 |
| MonoisotopicMass | 362.999986 |
| CLogP | 4.4651 |
| CLogS | -7.516 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 262.73 |
| Relative PSA | 0.2407 |
| 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 | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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