N-[(Z)-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide
Formula:C18H13N5O2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C18H13N5O2S |
| Smiles | O=C(c1cnccc1)N/N=C\c(o1)ccc1Sc1nc(cccc2)c2[nH]1 |
| InChI | InChI=1S/C18H13N5O2S/c24-17(12-4-3-9-19-10-12)23-20-11-13-7-8-16(25-13)26-18-21-14-5-1-2-6-15(14)22-18/h1-11H,(H,21,22)(H,23,24) |
| InChIK | KNEWQCSGOXXVHS-UHFFFAOYSA-N |
| TotalMolweight | 363.4 |
| Molweight | 363.4 |
| MonoisotopicMass | 363.078995 |
| CLogP | 3.1496 |
| CLogS | -4.137 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 275.62 |
| Relative PSA | 0.37566 |
| PolarSurfaceArea | 121.47 |
| Druglikeness | 6.8529 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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