(2R)-2-hydroxy-N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]-2-phenylacetamide
Formula:C19H16N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2R)-2-hydroxy-N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]-2-phenylacetamide is a drug-like molecule.
| MolName | (2R)-2-hydroxy-N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]-2-phenylacetamide |
| MolecularFormula | C19H16N4O4 |
| Smiles | [O-][N+](c(cc1)ccc1-n1c(/C=N\NC([C@@H](c2ccccc2)O)=O)ccc1)=O |
| InChI | InChI=1S/C19H16N4O4/c24-18(14-5-2-1-3-6-14)19(25)21-20-13-17-7-4-12-22(17)15-8-10-16(11-9-15)23(26)27/h1-13,18,24H,(H,21,25)/t18-/m1/s1 |
| InChIK | QTGXLRKEBRDOFI-GOSISDBHSA-N |
| TotalMolweight | 364.36 |
| Molweight | 364.36 |
| MonoisotopicMass | 364.117156 |
| CLogP | 1.4469 |
| CLogS | -5.935 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 278.47 |
| Relative PSA | 0.31027 |
| PolarSurfaceArea | 112.44 |
| Druglikeness | 1.1093 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon | this enantiomer |
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