N'-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-N-(pyridin-4-ylmethyl)oxamide
Formula:C19H15N5O5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N'-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-N-(pyridin-4-ylmethyl)oxamide is a drug-like molecule.
| MolName | N'-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-N-(pyridin-4-ylmethyl)oxamide |
| MolecularFormula | C19H15N5O5 |
| Smiles | [O-][N+](c1cc(-c2ccc(/C=N\NC(C(NCc3ccncc3)=O)=O)o2)ccc1)=O |
| InChI | InChI=1S/C19H15N5O5/c25-18(21-11-13-6-8-20-9-7-13)19(26)23-22-12-16-4-5-17(29-16)14-2-1-3-15(10-14)24(27)28/h1-10,12H,11H2,(H,21,25)(H,23,26) |
| InChIK | CDBMYQHVQXNNPD-UHFFFAOYSA-N |
| TotalMolweight | 393.358 |
| Molweight | 393.358 |
| MonoisotopicMass | 393.10732 |
| CLogP | 0.8697 |
| CLogS | -4.466 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 301.84 |
| Relative PSA | 0.38434 |
| PolarSurfaceArea | 142.41 |
| Druglikeness | 0.89461 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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