3-[5-[(Z)-[(4-chlorophenyl)carbamoylhydrazinylidene]methyl]furan-2-yl]benzoate
Formula:C19H13N3O4Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-[5-[(Z)-[(4-chlorophenyl)carbamoylhydrazinylidene]methyl]furan-2-yl]benzoate is a drug-like molecule.
| MolName | 3-[5-[(Z)-[(4-chlorophenyl)carbamoylhydrazinylidene]methyl]furan-2-yl]benzoate |
| MolecularFormula | C19H13N3O4Cl |
| Smiles | [O-]C(c1cccc(-c2ccc(/C=N\NC(Nc(cc3)ccc3Cl)=O)o2)c1)=O |
| InChI | InChI=1S/C19H14ClN3O4/c20-14-4-6-15(7-5-14)22-19(26)23-21-11-16-8-9-17(27-16)12-2-1-3-13(10-12)18(24)25/h1-11H,(H,24,25)(H2,22,23,26)/p-1 |
| InChIK | PEQBYNPMGJUPKT-UHFFFAOYSA-M |
| TotalMolweight | 382.782 |
| Molweight | 382.782 |
| MonoisotopicMass | 382.059459 |
| CLogP | 2.1495 |
| CLogS | -6.446 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 288.6 |
| Relative PSA | 0.30804 |
| PolarSurfaceArea | 106.76 |
| Druglikeness | 6.0846 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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