(Z)-1-[(3E)-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopenten-1-yl]-N-[(Z)-pyridin-2-ylmethylideneamino]methanimine
Formula:C23H23N5O3
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
(Z)-1-[(3E)-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopenten-1-yl]-N-[(Z)-pyridin-2-ylmethylideneamino]methanimine is a drug-like molecule.
| MolName | (Z)-1-[(3E)-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopenten-1-yl]-N-[(Z)-pyridin-2-ylmethylideneamino]methanimine |
| MolecularFormula | C23H23N5O3 |
| Smiles | [O-][N+](c1cc(/C=C(\CC2)/C(N3CCOCC3)=C2/C=N\N=C/c2ncccc2)ccc1)=O |
| InChI | InChI=1S/C23H23N5O3/c29-28(30)22-6-3-4-18(15-22)14-19-7-8-20(23(19)27-10-12-31-13-11-27)16-25-26-17-21-5-1-2-9-24-21/h1-6,9,14-17H,7-8,10-13H2 |
| InChIK | LVXMMRUVHXHVAH-UHFFFAOYSA-N |
| TotalMolweight | 417.468 |
| Molweight | 417.468 |
| MonoisotopicMass | 417.18009 |
| CLogP | 3.4966 |
| CLogS | -4.387 |
| H Acceptors | 8 |
| TotalSurfaceArea | 328.46 |
| Relative PSA | 0.23735 |
| PolarSurfaceArea | 95.9 |
| Druglikeness | -2.277 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (Z)-1-[(3E)-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopenten-1-yl]-N-[(Z)-pyridin-2-ylmethylideneamino]methanimine | 2 - (Z)-1-[(3E)-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopenten-1-yl]-N-[(Z)-pyridin-2-ylmethylideneamino]methanimine
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