N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-nitrobenzamide
Formula:C14H11N3O4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-nitrobenzamide is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-nitrobenzamide |
| MolecularFormula | C14H11N3O4 |
| Smiles | [O-][N+](c(cccc1)c1C(N/N=C\C=C\c1ccco1)=O)=O |
| InChI | InChI=1S/C14H11N3O4/c18-14(12-7-1-2-8-13(12)17(19)20)16-15-9-3-5-11-6-4-10-21-11/h1-10H,(H,16,18) |
| InChIK | HUQCWPZGIUFGJJ-UHFFFAOYSA-N |
| TotalMolweight | 285.258 |
| Molweight | 285.258 |
| MonoisotopicMass | 285.074957 |
| CLogP | 1.487 |
| CLogS | -4.155 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 226.85 |
| Relative PSA | 0.35504 |
| PolarSurfaceArea | 100.42 |
| Druglikeness | -0.87122 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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