N-[(Z)-anthracen-9-ylmethylideneamino]-3-[(2-chlorophenyl)sulfamoyl]benzamide
Formula:C28H20N3O3ClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-3-[(2-chlorophenyl)sulfamoyl]benzamide is not a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-3-[(2-chlorophenyl)sulfamoyl]benzamide |
| MolecularFormula | C28H20N3O3ClS |
| Smiles | O=C(c1cccc(S(Nc(cccc2)c2Cl)(=O)=O)c1)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C28H20ClN3O3S/c29-26-14-5-6-15-27(26)32-36(34,35)22-11-7-10-21(17-22)28(33)31-30-18-25-23-12-3-1-8-19(23)16-20-9-2-4-13-24(20)25/h1-18,32H,(H,31,33) |
| InChIK | MCWZMUXZCQIPNH-UHFFFAOYSA-N |
| TotalMolweight | 514.004 |
| Molweight | 514.004 |
| MonoisotopicMass | 513.091389 |
| CLogP | 6.4955 |
| CLogS | -9.002 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 371.41 |
| Relative PSA | 0.20476 |
| PolarSurfaceArea | 96.01 |
| Druglikeness | -0.905 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 1 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon |
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