4-chloro-N-[(Z)-thiophen-2-ylmethylideneamino]phthalazin-1-amine
Formula:C13H9N4ClS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
4-chloro-N-[(Z)-thiophen-2-ylmethylideneamino]phthalazin-1-amine is not a drug-like molecule.
| MolName | 4-chloro-N-[(Z)-thiophen-2-ylmethylideneamino]phthalazin-1-amine |
| MolecularFormula | C13H9N4ClS |
| Smiles | Clc(c1ccccc11)nnc1N/N=C\c1cccs1 |
| InChI | InChI=1S/C13H9ClN4S/c14-12-10-5-1-2-6-11(10)13(18-16-12)17-15-8-9-4-3-7-19-9/h1-8H,(H,17,18) |
| InChIK | LVFGACYRKBBSQE-UHFFFAOYSA-N |
| TotalMolweight | 288.761 |
| Molweight | 288.761 |
| MonoisotopicMass | 288.023643 |
| CLogP | 5.1269 |
| CLogS | -4.543 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 212.72 |
| Relative PSA | 0.30684 |
| PolarSurfaceArea | 78.41 |
| Druglikeness | 4.1212 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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