(2R)-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-hydroxy-2-phenylacetamide
Formula:C15H14N2O3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(2R)-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-hydroxy-2-phenylacetamide is a drug-like molecule.
| MolName | (2R)-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-hydroxy-2-phenylacetamide |
| MolecularFormula | C15H14N2O3 |
| Smiles | O[C@@H](C(N/N=C\C=C\c1ccco1)=O)c1ccccc1 |
| InChI | InChI=1S/C15H14N2O3/c18-14(12-6-2-1-3-7-12)15(19)17-16-10-4-8-13-9-5-11-20-13/h1-11,14,18H,(H,17,19)/t14-/m1/s1 |
| InChIK | QRCOLKJSUGVWGL-CQSZACIVSA-N |
| TotalMolweight | 270.287 |
| Molweight | 270.287 |
| MonoisotopicMass | 270.100443 |
| CLogP | 1.3366 |
| CLogS | -3.112 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 222.03 |
| Relative PSA | 0.28474 |
| PolarSurfaceArea | 74.83 |
| Druglikeness | 5.0983 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon | this enantiomer |
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1 - (2R)-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-hydroxy-2-phenylacetamide | 2 - (2R)-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-hydroxy-2-phenylacetamide
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