N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
Formula:C26H22N3O4ClS
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide is not a drug-like molecule.
| MolName | N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide |
| MolecularFormula | C26H22N3O4ClS |
| Smiles | O=C(c1cc(S(N2CCOCC2)(=O)=O)ccc1)N/N=C\c(c1ccccc11)c(cccc2)c2c1Cl |
| InChI | InChI=1S/C26H22ClN3O4S/c27-25-22-10-3-1-8-20(22)24(21-9-2-4-11-23(21)25)17-28-29-26(31)18-6-5-7-19(16-18)35(32,33)30-12-14-34-15-13-30/h1-11,16-17H,12-15H2,(H,29,31) |
| InChIK | GZZDTSJYHFRSID-UHFFFAOYSA-N |
| TotalMolweight | 507.997 |
| Molweight | 507.997 |
| MonoisotopicMass | 507.101954 |
| CLogP | 5.2392 |
| CLogS | -6.875 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 362.03 |
| Relative PSA | 0.21584 |
| PolarSurfaceArea | 96.45 |
| Druglikeness | 0.18087 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48571 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 6 |
| Symmetricatoms | 9 |
| Amides | 1 |
| StereoCon |
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