| MolName | (2E)-2-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]chromene-3-carboxamide |
| MolecularFormula | C18H14N3O4Cl |
| Smiles | NC(C1=Cc(cccc2)c2O/C1=N/NC(COc(cc1)ccc1Cl)=O)=O |
| InChI | InChI=1S/C18H14ClN3O4/c19-12-5-7-13(8-6-12)25-10-16(23)21-22-18-14(17(20)24)9-11-3-1-2-4-15(11)26-18/h1-9H,10H2,(H2,20,24)(H,21,23) |
| InChIK | ZOMZUKBSSMILJF-UHFFFAOYSA-N |
| TotalMolweight | 371.779 |
| Molweight | 371.779 |
| MonoisotopicMass | 371.067284 |
| CLogP | 2.0531 |
| CLogS | -4.342 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 271.86 |
| Relative PSA | 0.31016 |
| PolarSurfaceArea | 103.01 |
| Druglikeness | 4.7638 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | twice activated DB; acyl-hydrazone |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (2E)-2-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]chromene-3-carboxamide | 2 - (2E)-2-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]chromene-3-carboxamide