N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-9H-xanthene-9-carboxamide
Formula:C19H13N3O5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-9H-xanthene-9-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-9H-xanthene-9-carboxamide |
| MolecularFormula | C19H13N3O5 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(C2c(cccc3)c3Oc3c2cccc3)=O)o1)=O |
| InChI | InChI=1S/C19H13N3O5/c23-19(21-20-11-12-9-10-17(26-12)22(24)25)18-13-5-1-3-7-15(13)27-16-8-4-2-6-14(16)18/h1-11,18H,(H,21,23) |
| InChIK | WNXHVBRQHMQXDX-UHFFFAOYSA-N |
| TotalMolweight | 363.328 |
| Molweight | 363.328 |
| MonoisotopicMass | 363.085522 |
| CLogP | 2.9178 |
| CLogS | -6.713 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 269.11 |
| Relative PSA | 0.33644 |
| PolarSurfaceArea | 109.65 |
| Druglikeness | 3.6496 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-9H-xanthene-9-carboxamide | 2 - N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-9H-xanthene-9-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off