2-cyano-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
Formula:C10H8N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-cyano-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-cyano-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide |
| MolecularFormula | C10H8N4O3 |
| Smiles | N#CCC(N/N=C\c(cc1)ccc1[N+]([O-])=O)=O |
| InChI | InChI=1S/C10H8N4O3/c11-6-5-10(15)13-12-7-8-1-3-9(4-2-8)14(16)17/h1-4,7H,5H2,(H,13,15) |
| InChIK | PBSNGGWFVVDKFM-UHFFFAOYSA-N |
| TotalMolweight | 232.199 |
| Molweight | 232.199 |
| MonoisotopicMass | 232.059641 |
| CLogP | 0.5362 |
| CLogS | -3.429 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 186.37 |
| Relative PSA | 0.4292 |
| PolarSurfaceArea | 111.07 |
| Druglikeness | -8.0341 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.76471 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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