[(Z)-[amino(pyridin-4-yl)methylidene]amino] 2-(4-nitrophenyl)acetate
Formula:C14H12N4O4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(Z)-[amino(pyridin-4-yl)methylidene]amino] 2-(4-nitrophenyl)acetate is a drug-like molecule.
| MolName | [(Z)-[amino(pyridin-4-yl)methylidene]amino] 2-(4-nitrophenyl)acetate |
| MolecularFormula | C14H12N4O4 |
| Smiles | N/C(/c1ccncc1)=N\OC(Cc(cc1)ccc1[N+]([O-])=O)=O |
| InChI | InChI=1S/C14H12N4O4/c15-14(11-5-7-16-8-6-11)17-22-13(19)9-10-1-3-12(4-2-10)18(20)21/h1-8H,9H2,(H2,15,17) |
| InChIK | HWPQAMOKHVILJB-UHFFFAOYSA-N |
| TotalMolweight | 300.273 |
| Molweight | 300.273 |
| MonoisotopicMass | 300.085856 |
| CLogP | 1.1477 |
| CLogS | -3.166 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 228.45 |
| Relative PSA | 0.39926 |
| PolarSurfaceArea | 123.39 |
| Druglikeness | -8.8495 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - [(Z)-[amino(pyridin-4-yl)methylidene]amino] 2-(4-nitrophenyl)acetate | 2 - [(Z)-[amino(pyridin-4-yl)methylidene]amino] 2-(4-nitrophenyl)acetate
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