N-[(Z)-[3-nitro-4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]methylideneamino]furan-2-carboxamide
Formula:C14H10N6O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-nitro-4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]methylideneamino]furan-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[3-nitro-4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]methylideneamino]furan-2-carboxamide |
| MolecularFormula | C14H10N6O4S |
| Smiles | [O-][N+](c(cc(/C=N\NC(c1ccco1)=O)cc1)c1Sc1ncn[nH]1)=O |
| InChI | InChI=1S/C14H10N6O4S/c21-13(11-2-1-5-24-11)18-16-7-9-3-4-12(10(6-9)20(22)23)25-14-15-8-17-19-14/h1-8H,(H,18,21)(H,15,17,19) |
| InChIK | QYAPMVODPGXLNX-UHFFFAOYSA-N |
| TotalMolweight | 358.337 |
| Molweight | 358.337 |
| MonoisotopicMass | 358.048424 |
| CLogP | 1.3018 |
| CLogS | -4.368 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 264.69 |
| Relative PSA | 0.5061 |
| PolarSurfaceArea | 167.29 |
| Druglikeness | 0.075131 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-[3-nitro-4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]methylideneamino]furan-2-carboxamide | 2 - N-[(Z)-[3-nitro-4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]methylideneamino]furan-2-carboxamide
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