[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino] cyclopropanecarboxylate
Formula:C15H17N3O5
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino] cyclopropanecarboxylate is a drug-like molecule.
| MolName | [(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino] cyclopropanecarboxylate |
| MolecularFormula | C15H17N3O5 |
| Smiles | [O-][N+](c(cc(/C=N\OC(C1CC1)=O)cc1)c1N1CCOCC1)=O |
| InChI | InChI=1S/C15H17N3O5/c19-15(12-2-3-12)23-16-10-11-1-4-13(14(9-11)18(20)21)17-5-7-22-8-6-17/h1,4,9-10,12H,2-3,5-8H2 |
| InChIK | DJQHWFRHUYWNAY-UHFFFAOYSA-N |
| TotalMolweight | 319.316 |
| Molweight | 319.316 |
| MonoisotopicMass | 319.116822 |
| CLogP | 1.5398 |
| CLogS | -3.68 |
| H Acceptors | 8 |
| TotalSurfaceArea | 237.8 |
| Relative PSA | 0.33019 |
| PolarSurfaceArea | 96.95 |
| Druglikeness | -5.2502 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 11 |
| Symmetricatoms | 3 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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