(1E)-2-morpholin-4-yl-N-(2-nitrophenyl)-2-oxoethanehydrazonoyl chloride
Formula:C12H13N4O4Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(1E)-2-morpholin-4-yl-N-(2-nitrophenyl)-2-oxoethanehydrazonoyl chloride is a drug-like molecule.
| MolName | (1E)-2-morpholin-4-yl-N-(2-nitrophenyl)-2-oxoethanehydrazonoyl chloride |
| MolecularFormula | C12H13N4O4Cl |
| Smiles | [O-][N+](c(cccc1)c1N/N=C(\C(N1CCOCC1)=O)/Cl)=O |
| InChI | InChI=1S/C12H13ClN4O4/c13-11(12(18)16-5-7-21-8-6-16)15-14-9-3-1-2-4-10(9)17(19)20/h1-4,14H,5-8H2 |
| InChIK | NMAAPZJKHAQJDF-UHFFFAOYSA-N |
| TotalMolweight | 312.712 |
| Molweight | 312.712 |
| MonoisotopicMass | 312.062533 |
| CLogP | 1.3221 |
| CLogS | -1.376 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 226.37 |
| Relative PSA | 0.35332 |
| PolarSurfaceArea | 99.75 |
| Druglikeness | -1.6994 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-halogenide type; aromatic nitro |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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