N-[(Z)-[4-(2-chloro-4-nitrophenoxy)phenyl]methylideneamino]-2-pyrrolidin-1-ylacetamide
Formula:C19H19N4O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(2-chloro-4-nitrophenoxy)phenyl]methylideneamino]-2-pyrrolidin-1-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(2-chloro-4-nitrophenoxy)phenyl]methylideneamino]-2-pyrrolidin-1-ylacetamide |
| MolecularFormula | C19H19N4O4Cl |
| Smiles | [O-][N+](c(cc1)cc(Cl)c1Oc1ccc(/C=N\NC(CN2CCCC2)=O)cc1)=O |
| InChI | InChI=1S/C19H19ClN4O4/c20-17-11-15(24(26)27)5-8-18(17)28-16-6-3-14(4-7-16)12-21-22-19(25)13-23-9-1-2-10-23/h3-8,11-12H,1-2,9-10,13H2,(H,22,25) |
| InChIK | ZFMOCZWNDDLMAL-UHFFFAOYSA-N |
| TotalMolweight | 402.837 |
| Molweight | 402.837 |
| MonoisotopicMass | 402.109483 |
| CLogP | 1.9958 |
| CLogS | -5.853 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 301.68 |
| Relative PSA | 0.26512 |
| PolarSurfaceArea | 99.75 |
| Druglikeness | 1.1329 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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