N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]cyclopropanecarboxamide
Formula:C15H13N3O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]cyclopropanecarboxamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]cyclopropanecarboxamide |
| MolecularFormula | C15H13N3O4 |
| Smiles | [O-][N+](c(cc1)ccc1-c1ccc(/C=N\NC(C2CC2)=O)o1)=O |
| InChI | InChI=1S/C15H13N3O4/c19-15(11-1-2-11)17-16-9-13-7-8-14(22-13)10-3-5-12(6-4-10)18(20)21/h3-9,11H,1-2H2,(H,17,19) |
| InChIK | KXMOJIORKPPLNP-UHFFFAOYSA-N |
| TotalMolweight | 299.285 |
| Molweight | 299.285 |
| MonoisotopicMass | 299.090607 |
| CLogP | 2.0932 |
| CLogS | -4.987 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 226.87 |
| Relative PSA | 0.35501 |
| PolarSurfaceArea | 100.42 |
| Druglikeness | 2.5703 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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