N-[(Z)-[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-4-nitrobenzamide
Formula:C19H12N4O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-4-nitrobenzamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-4-nitrobenzamide |
| MolecularFormula | C19H12N4O4 |
| Smiles | N#Cc(cccc1)c1-c1ccc(/C=N\NC(c(cc2)ccc2[N+]([O-])=O)=O)o1 |
| InChI | InChI=1S/C19H12N4O4/c20-11-14-3-1-2-4-17(14)18-10-9-16(27-18)12-21-22-19(24)13-5-7-15(8-6-13)23(25)26/h1-10,12H,(H,22,24) |
| InChIK | XFZBOWBNKWBXGY-UHFFFAOYSA-N |
| TotalMolweight | 360.328 |
| Molweight | 360.328 |
| MonoisotopicMass | 360.085856 |
| CLogP | 3.0545 |
| CLogS | -6.414 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 281.82 |
| Relative PSA | 0.3339 |
| PolarSurfaceArea | 124.21 |
| Druglikeness | -2.9 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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