3-chloro-N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]benzamide
Formula:C18H17N4O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-chloro-N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 3-chloro-N-[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]benzamide |
| MolecularFormula | C18H17N4O4Cl |
| Smiles | [O-][N+](c(cc(/C=N\NC(c1cccc(Cl)c1)=O)cc1)c1N1CCOCC1)=O |
| InChI | InChI=1S/C18H17ClN4O4/c19-15-3-1-2-14(11-15)18(24)21-20-12-13-4-5-16(17(10-13)23(25)26)22-6-8-27-9-7-22/h1-5,10-12H,6-9H2,(H,21,24) |
| InChIK | ZKLXYRBNMIULTE-UHFFFAOYSA-N |
| TotalMolweight | 388.81 |
| Molweight | 388.81 |
| MonoisotopicMass | 388.093833 |
| CLogP | 2.555 |
| CLogS | -5.02 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 287.92 |
| Relative PSA | 0.27779 |
| PolarSurfaceArea | 99.75 |
| Druglikeness | 0.042545 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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