benzyl N-[(Z)-pyridin-2-ylmethylideneamino]carbamodithioate
Formula:C14H13N3S2
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
benzyl N-[(Z)-pyridin-2-ylmethylideneamino]carbamodithioate is a drug-like molecule.
| MolName | benzyl N-[(Z)-pyridin-2-ylmethylideneamino]carbamodithioate |
| MolecularFormula | C14H13N3S2 |
| Smiles | S=C(N/N=C\c1ncccc1)SCc1ccccc1 |
| InChI | InChI=1S/C14H13N3S2/c18-14(19-11-12-6-2-1-3-7-12)17-16-10-13-8-4-5-9-15-13/h1-10H,11H2,(H,17,18) |
| InChIK | VLFMYRBJDHAVEJ-UHFFFAOYSA-N |
| TotalMolweight | 287.41 |
| Molweight | 287.41 |
| MonoisotopicMass | 287.055087 |
| CLogP | 3.1649 |
| CLogS | -4.52 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 231.96 |
| Relative PSA | 0.34243 |
| PolarSurfaceArea | 94.67 |
| Druglikeness | 2.2951 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.73684 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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