N-[(Z)-(2-chloro-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylideneamino]-3-nitrobenzamide
Formula:C16H10N5O4Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloro-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylideneamino]-3-nitrobenzamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylideneamino]-3-nitrobenzamide |
| MolecularFormula | C16H10N5O4Cl |
| Smiles | [O-][N+](c1cccc(C(N/N=C\C(C(N(C=CC=C2)C2=N2)=O)=C2Cl)=O)c1)=O |
| InChI | InChI=1S/C16H10ClN5O4/c17-14-12(16(24)21-7-2-1-6-13(21)19-14)9-18-20-15(23)10-4-3-5-11(8-10)22(25)26/h1-9H,(H,20,23) |
| InChIK | NUPKIKNHGNZIBG-UHFFFAOYSA-N |
| TotalMolweight | 371.739 |
| Molweight | 371.739 |
| MonoisotopicMass | 371.042132 |
| CLogP | 0.2567 |
| CLogS | -4.249 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 266.26 |
| Relative PSA | 0.35503 |
| PolarSurfaceArea | 119.95 |
| Druglikeness | 1.5203 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB; twice activated DB; aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde; 3-halo-enone |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Amides | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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