3-morpholin-4-yl-N'-[(E)-3-(3-nitrophenyl)prop-2-enoyl]propanehydrazide
Formula:C16H20N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-morpholin-4-yl-N'-[(E)-3-(3-nitrophenyl)prop-2-enoyl]propanehydrazide is a drug-like molecule.
| MolName | 3-morpholin-4-yl-N'-[(E)-3-(3-nitrophenyl)prop-2-enoyl]propanehydrazide |
| MolecularFormula | C16H20N4O5 |
| Smiles | [O-][N+](c1cc(/C=C/C(NNC(CCN2CCOCC2)=O)=O)ccc1)=O |
| InChI | InChI=1S/C16H20N4O5/c21-15(5-4-13-2-1-3-14(12-13)20(23)24)17-18-16(22)6-7-19-8-10-25-11-9-19/h1-5,12H,6-11H2,(H,17,21)(H,18,22) |
| InChIK | OBMNMPNPSWWRAD-UHFFFAOYSA-N |
| TotalMolweight | 348.358 |
| Molweight | 348.358 |
| MonoisotopicMass | 348.143371 |
| CLogP | -1.6282 |
| CLogS | -2.43 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 271.21 |
| Relative PSA | 0.3428 |
| PolarSurfaceArea | 116.49 |
| Druglikeness | -2.5442 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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