N-[(E)-thian-3-ylideneamino]benzamide
Formula:C12H14N2OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-thian-3-ylideneamino]benzamide is a drug-like molecule.
| MolName | N-[(E)-thian-3-ylideneamino]benzamide |
| MolecularFormula | C12H14N2OS |
| Smiles | O=C(c1ccccc1)N/N=C1/CSCCC1 |
| InChI | InChI=1S/C12H14N2OS/c15-12(10-5-2-1-3-6-10)14-13-11-7-4-8-16-9-11/h1-3,5-6H,4,7-9H2,(H,14,15) |
| InChIK | OBDQCGVNXRXXKA-UHFFFAOYSA-N |
| TotalMolweight | 234.322 |
| Molweight | 234.322 |
| MonoisotopicMass | 234.082683 |
| CLogP | 2.1952 |
| CLogS | -3.38 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 184.47 |
| Relative PSA | 0.29002 |
| PolarSurfaceArea | 66.76 |
| Druglikeness | 2.4181 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| StereoCon |
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