(2R)-2-hydroxy-N-[(Z)-[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]-2-phenylacetamide
Formula:C17H15N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2R)-2-hydroxy-N-[(Z)-[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]-2-phenylacetamide is a drug-like molecule.
| MolName | (2R)-2-hydroxy-N-[(Z)-[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]-2-phenylacetamide |
| MolecularFormula | C17H15N3O4 |
| Smiles | [O-][N+](c1ccc(/C=C/C=N\NC([C@@H](c2ccccc2)O)=O)cc1)=O |
| InChI | InChI=1S/C17H15N3O4/c21-16(14-6-2-1-3-7-14)17(22)19-18-12-4-5-13-8-10-15(11-9-13)20(23)24/h1-12,16,21H,(H,19,22)/t16-/m1/s1 |
| InChIK | GJYQXVPAEAKNOS-MRXNPFEDSA-N |
| TotalMolweight | 325.323 |
| Molweight | 325.323 |
| MonoisotopicMass | 325.106257 |
| CLogP | 1.2263 |
| CLogS | -3.89 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 256.01 |
| Relative PSA | 0.31065 |
| PolarSurfaceArea | 107.51 |
| Druglikeness | 0.11591 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (2R)-2-hydroxy-N-[(Z)-[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]-2-phenylacetamide | 2 - (2R)-2-hydroxy-N-[(Z)-[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]-2-phenylacetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off