N-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]naphthalene-2-carboxamide
Formula:C22H14N2O2BrClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]naphthalene-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]naphthalene-2-carboxamide |
| MolecularFormula | C22H14N2O2BrClS |
| Smiles | O=C(c1cc2ccccc2cc1)N/N=C\c(o1)cc(Br)c1Sc(cc1)ccc1Cl |
| InChI | InChI=1S/C22H14BrClN2O2S/c23-20-12-18(28-22(20)29-19-9-7-17(24)8-10-19)13-25-26-21(27)16-6-5-14-3-1-2-4-15(14)11-16/h1-13H,(H,26,27) |
| InChIK | ACOOOATVSWNWPD-UHFFFAOYSA-N |
| TotalMolweight | 485.788 |
| Molweight | 485.788 |
| MonoisotopicMass | 483.964786 |
| CLogP | 6.8344 |
| CLogS | -8.128 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 322.58 |
| Relative PSA | 0.20959 |
| PolarSurfaceArea | 79.9 |
| Druglikeness | -0.5949 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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