N-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-pyrrol-1-ylbenzamide
Formula:C22H15N3O2BrClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-pyrrol-1-ylbenzamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-pyrrol-1-ylbenzamide |
| MolecularFormula | C22H15N3O2BrClS |
| Smiles | O=C(c(cccc1)c1-n1cccc1)N/N=C\c(o1)cc(Br)c1Sc(cc1)ccc1Cl |
| InChI | InChI=1S/C22H15BrClN3O2S/c23-19-13-16(29-22(19)30-17-9-7-15(24)8-10-17)14-25-26-21(28)18-5-1-2-6-20(18)27-11-3-4-12-27/h1-14H,(H,26,28) |
| InChIK | RSMORXKVLRXKIT-UHFFFAOYSA-N |
| TotalMolweight | 500.803 |
| Molweight | 500.803 |
| MonoisotopicMass | 498.975685 |
| CLogP | 5.8249 |
| CLogS | -8.835 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 336.94 |
| Relative PSA | 0.22105 |
| PolarSurfaceArea | 84.83 |
| Druglikeness | 0.02549 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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