(2E)-N-(3-chlorophenyl)-2-hydroxyiminochromene-3-carboxamide
Formula:C16H11N2O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2E)-N-(3-chlorophenyl)-2-hydroxyiminochromene-3-carboxamide is a drug-like molecule.
| MolName | (2E)-N-(3-chlorophenyl)-2-hydroxyiminochromene-3-carboxamide |
| MolecularFormula | C16H11N2O3Cl |
| Smiles | O/N=C1/Oc(cccc2)c2C=C1C(Nc1cccc(Cl)c1)=O |
| InChI | InChI=1S/C16H11ClN2O3/c17-11-5-3-6-12(9-11)18-15(20)13-8-10-4-1-2-7-14(10)22-16(13)19-21/h1-9,21H,(H,18,20) |
| InChIK | CZZHVWKAYFPIIV-UHFFFAOYSA-N |
| TotalMolweight | 314.727 |
| Molweight | 314.727 |
| MonoisotopicMass | 314.04582 |
| CLogP | 3.5511 |
| CLogS | -4.579 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 228.18 |
| Relative PSA | 0.25905 |
| PolarSurfaceArea | 70.92 |
| Druglikeness | 2.7099 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | twice activated DB |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Amides | 1 |
| StereoCon |
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