4-(benzylamino)-N-[(Z)-furan-2-ylmethylideneamino]benzamide
Formula:C19H17N3O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
4-(benzylamino)-N-[(Z)-furan-2-ylmethylideneamino]benzamide is a drug-like molecule.
| MolName | 4-(benzylamino)-N-[(Z)-furan-2-ylmethylideneamino]benzamide |
| MolecularFormula | C19H17N3O2 |
| Smiles | O=C(c(cc1)ccc1NCc1ccccc1)N/N=C\c1ccco1 |
| InChI | InChI=1S/C19H17N3O2/c23-19(22-21-14-18-7-4-12-24-18)16-8-10-17(11-9-16)20-13-15-5-2-1-3-6-15/h1-12,14,20H,13H2,(H,22,23) |
| InChIK | HDQZZVYWLIQGOU-UHFFFAOYSA-N |
| TotalMolweight | 319.363 |
| Molweight | 319.363 |
| MonoisotopicMass | 319.132077 |
| CLogP | 3.4554 |
| CLogS | -4.786 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 261.66 |
| Relative PSA | 0.23534 |
| PolarSurfaceArea | 66.63 |
| Druglikeness | 4.6425 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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