N-[(E)-[1-amino-2-(4-chlorophenyl)sulfanylethylidene]amino]pyridine-4-carboxamide
Formula:C14H13N4OClS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(E)-[1-amino-2-(4-chlorophenyl)sulfanylethylidene]amino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(E)-[1-amino-2-(4-chlorophenyl)sulfanylethylidene]amino]pyridine-4-carboxamide |
| MolecularFormula | C14H13N4OClS |
| Smiles | N/C(/CSc(cc1)ccc1Cl)=N/NC(c1ccncc1)=O |
| InChI | InChI=1S/C14H13ClN4OS/c15-11-1-3-12(4-2-11)21-9-13(16)18-19-14(20)10-5-7-17-8-6-10/h1-8H,9H2,(H2,16,18)(H,19,20) |
| InChIK | XZVHNYUSNHGUGE-UHFFFAOYSA-N |
| TotalMolweight | 320.803 |
| Molweight | 320.803 |
| MonoisotopicMass | 320.049858 |
| CLogP | 2.1735 |
| CLogS | -3.969 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 239.15 |
| Relative PSA | 0.33343 |
| PolarSurfaceArea | 105.67 |
| Druglikeness | 3.483 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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