(3E)-3-(carbamothioylhydrazinylidene)-4-chloro-N-phenylbutanamide
Formula:C11H13N4OClS
Mutagenic:low
Tumorigenic:high
Reproductive Effective:high
(3E)-3-(carbamothioylhydrazinylidene)-4-chloro-N-phenylbutanamide is a drug-like molecule.
| MolName | (3E)-3-(carbamothioylhydrazinylidene)-4-chloro-N-phenylbutanamide |
| MolecularFormula | C11H13N4OClS |
| Smiles | NC(N/N=C(\CC(Nc1ccccc1)=O)/CCl)=S |
| InChI | InChI=1S/C11H13ClN4OS/c12-7-9(15-16-11(13)18)6-10(17)14-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,17)(H3,13,16,18) |
| InChIK | GEPIVSVMBKBEGR-UHFFFAOYSA-N |
| TotalMolweight | 284.77 |
| Molweight | 284.77 |
| MonoisotopicMass | 284.049858 |
| CLogP | 1.3875 |
| CLogS | -3.509 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 221.07 |
| Relative PSA | 0.41046 |
| PolarSurfaceArea | 111.6 |
| Druglikeness | 2.9614 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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