(NZ)-N-[(E)-5-morpholin-4-yl-1-(4-nitrophenyl)pent-1-en-3-ylidene]hydroxylamine
Formula:C15H19N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[(E)-5-morpholin-4-yl-1-(4-nitrophenyl)pent-1-en-3-ylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[(E)-5-morpholin-4-yl-1-(4-nitrophenyl)pent-1-en-3-ylidene]hydroxylamine |
| MolecularFormula | C15H19N3O4 |
| Smiles | [O-][N+](c1ccc(/C=C/C(/CCN2CCOCC2)=N\O)cc1)=O |
| InChI | InChI=1S/C15H19N3O4/c19-16-14(7-8-17-9-11-22-12-10-17)4-1-13-2-5-15(6-3-13)18(20)21/h1-6,19H,7-12H2 |
| InChIK | NIKBMIRIFUMZFU-UHFFFAOYSA-N |
| TotalMolweight | 305.333 |
| Molweight | 305.333 |
| MonoisotopicMass | 305.137557 |
| CLogP | 0.6418 |
| CLogS | -2.741 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 242.11 |
| Relative PSA | 0.28326 |
| PolarSurfaceArea | 90.88 |
| Druglikeness | -2.8794 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 10 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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