N-[(Z)-(4-nitrophenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
Formula:C18H15N5O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-nitrophenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide is a drug-like molecule.
| MolName | N-[(Z)-(4-nitrophenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide |
| MolecularFormula | C18H15N5O4 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(CCC2=Nc(cccc3)c3NC2=O)=O)cc1)=O |
| InChI | InChI=1S/C18H15N5O4/c24-17(22-19-11-12-5-7-13(8-6-12)23(26)27)10-9-16-18(25)21-15-4-2-1-3-14(15)20-16/h1-8,11H,9-10H2,(H,21,25)(H,22,24) |
| InChIK | DTJSIITYALRBCU-UHFFFAOYSA-N |
| TotalMolweight | 365.348 |
| Molweight | 365.348 |
| MonoisotopicMass | 365.112405 |
| CLogP | 1.2297 |
| CLogS | -4.579 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 276.86 |
| Relative PSA | 0.37001 |
| PolarSurfaceArea | 128.74 |
| Druglikeness | 0.43099 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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