5-chloro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1-benzofuran-2-carboxamide
Formula:C18H13N2O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
5-chloro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1-benzofuran-2-carboxamide is a drug-like molecule.
| MolName | 5-chloro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1-benzofuran-2-carboxamide |
| MolecularFormula | C18H13N2O2Cl |
| Smiles | O=C(c1cc(cc(cc2)Cl)c2o1)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C18H13ClN2O2/c19-15-8-9-16-14(11-15)12-17(23-16)18(22)21-20-10-4-7-13-5-2-1-3-6-13/h1-12H,(H,21,22) |
| InChIK | OBTMEZBZZRWHCH-UHFFFAOYSA-N |
| TotalMolweight | 324.766 |
| Molweight | 324.766 |
| MonoisotopicMass | 324.066555 |
| CLogP | 4.3315 |
| CLogS | -5.932 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 253.2 |
| Relative PSA | 0.19795 |
| PolarSurfaceArea | 54.6 |
| Druglikeness | 4.7391 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| StereoCon |
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