4-[(4-chlorobenzoyl)amino]-N-[(Z)-furan-2-ylmethylideneamino]benzamide
Formula:C19H14N3O3Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
4-[(4-chlorobenzoyl)amino]-N-[(Z)-furan-2-ylmethylideneamino]benzamide is a drug-like molecule.
| MolName | 4-[(4-chlorobenzoyl)amino]-N-[(Z)-furan-2-ylmethylideneamino]benzamide |
| MolecularFormula | C19H14N3O3Cl |
| Smiles | O=C(c(cc1)ccc1Cl)Nc(cc1)ccc1C(N/N=C\c1ccco1)=O |
| InChI | InChI=1S/C19H14ClN3O3/c20-15-7-3-13(4-8-15)18(24)22-16-9-5-14(6-10-16)19(25)23-21-12-17-2-1-11-26-17/h1-12H,(H,22,24)(H,23,25) |
| InChIK | UTZOXAYTUUZNDT-UHFFFAOYSA-N |
| TotalMolweight | 367.791 |
| Molweight | 367.791 |
| MonoisotopicMass | 367.072369 |
| CLogP | 4.1438 |
| CLogS | -5.651 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 281.07 |
| Relative PSA | 0.26549 |
| PolarSurfaceArea | 83.7 |
| Druglikeness | 4.6784 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - 4-[(4-chlorobenzoyl)amino]-N-[(Z)-furan-2-ylmethylideneamino]benzamide | 2 - 4-[(4-chlorobenzoyl)amino]-N-[(Z)-furan-2-ylmethylideneamino]benzamide
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