N'-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]oxamide
Formula:C11H10N3O2Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]oxamide is a drug-like molecule.
| MolName | N'-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]oxamide |
| MolecularFormula | C11H10N3O2Cl |
| Smiles | NC(C(N/N=C\C(\Cl)=C\c1ccccc1)=O)=O |
| InChI | InChI=1S/C11H10ClN3O2/c12-9(6-8-4-2-1-3-5-8)7-14-15-11(17)10(13)16/h1-7H,(H2,13,16)(H,15,17) |
| InChIK | KXTQRIBFAWMKCS-UHFFFAOYSA-N |
| TotalMolweight | 251.672 |
| Molweight | 251.672 |
| MonoisotopicMass | 251.046154 |
| CLogP | 0.5636 |
| CLogS | -3.085 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 193.63 |
| Relative PSA | 0.33218 |
| PolarSurfaceArea | 84.55 |
| Druglikeness | 2.5267 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N'-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]oxamide | 2 - N'-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]oxamide
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