N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-(2-cyanophenoxy)acetamide
Formula:C16H11N4O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-(2-cyanophenoxy)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-(2-cyanophenoxy)acetamide |
| MolecularFormula | C16H11N4O4Cl |
| Smiles | N#Cc(cccc1)c1OCC(N/N=C\c(cc1)cc([N+]([O-])=O)c1Cl)=O |
| InChI | InChI=1S/C16H11ClN4O4/c17-13-6-5-11(7-14(13)21(23)24)9-19-20-16(22)10-25-15-4-2-1-3-12(15)8-18/h1-7,9H,10H2,(H,20,22) |
| InChIK | ZALJYWZIARVDAT-UHFFFAOYSA-N |
| TotalMolweight | 358.74 |
| Molweight | 358.74 |
| MonoisotopicMass | 358.046883 |
| CLogP | 2.2965 |
| CLogS | -5.47 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 271.55 |
| Relative PSA | 0.33139 |
| PolarSurfaceArea | 120.3 |
| Druglikeness | -5.1693 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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