3-(2-hydroxyphenyl)-N-[(Z)-(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]propanamide
Formula:C20H22N4O4
Mutagenic:none
Tumorigenic:low
Reproductive Effective:low
3-(2-hydroxyphenyl)-N-[(Z)-(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]propanamide is a drug-like molecule.
| MolName | 3-(2-hydroxyphenyl)-N-[(Z)-(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]propanamide |
| MolecularFormula | C20H22N4O4 |
| Smiles | [O-][N+](c(cc1)cc(/C=N\NC(CCc(cccc2)c2O)=O)c1N1CCCC1)=O |
| InChI | InChI=1S/C20H22N4O4/c25-19-6-2-1-5-15(19)7-10-20(26)22-21-14-16-13-17(24(27)28)8-9-18(16)23-11-3-4-12-23/h1-2,5-6,8-9,13-14,25H,3-4,7,10-12H2,(H,22,26) |
| InChIK | BBTNJGUMPFCUJY-UHFFFAOYSA-N |
| TotalMolweight | 382.419 |
| Molweight | 382.419 |
| MonoisotopicMass | 382.164106 |
| CLogP | 2.8778 |
| CLogS | -4.842 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 296.37 |
| Relative PSA | 0.28033 |
| PolarSurfaceArea | 110.75 |
| Druglikeness | 0.69177 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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