2-amino-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
Formula:C18H14N4O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-amino-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide is a drug-like molecule.
| MolName | 2-amino-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide |
| MolecularFormula | C18H14N4O4 |
| Smiles | Nc(cccc1)c1C(N/N=C\c1ccc(-c(cc2)ccc2[N+]([O-])=O)o1)=O |
| InChI | InChI=1S/C18H14N4O4/c19-16-4-2-1-3-15(16)18(23)21-20-11-14-9-10-17(26-14)12-5-7-13(8-6-12)22(24)25/h1-11H,19H2,(H,21,23) |
| InChIK | GOWVRXFGTCQFHG-UHFFFAOYSA-N |
| TotalMolweight | 350.333 |
| Molweight | 350.333 |
| MonoisotopicMass | 350.101506 |
| CLogP | 2.5416 |
| CLogS | -5.717 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 268.63 |
| Relative PSA | 0.35666 |
| PolarSurfaceArea | 126.44 |
| Druglikeness | 1.3529 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; 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 | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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