(2S)-N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxy-2-phenylacetamide
Formula:C17H15N2O2Br
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
(2S)-N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxy-2-phenylacetamide is a drug-like molecule.
| MolName | (2S)-N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxy-2-phenylacetamide |
| MolecularFormula | C17H15N2O2Br |
| Smiles | O[C@H](C(N/N=C\C(\Br)=C\c1ccccc1)=O)c1ccccc1 |
| InChI | InChI=1S/C17H15BrN2O2/c18-15(11-13-7-3-1-4-8-13)12-19-20-17(22)16(21)14-9-5-2-6-10-14/h1-12,16,21H,(H,20,22)/t16-/m0/s1 |
| InChIK | OBKOJJWAUFNEQD-INIZCTEOSA-N |
| TotalMolweight | 359.222 |
| Molweight | 359.222 |
| MonoisotopicMass | 358.031689 |
| CLogP | 2.7405 |
| CLogS | -4.263 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 249.18 |
| Relative PSA | 0.19709 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | 0.037932 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon | this enantiomer |
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1 - (2S)-N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxy-2-phenylacetamide | 2 - (2S)-N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-hydroxy-2-phenylacetamide
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