N-[(Z)-anthracen-9-ylmethylideneamino]-3-morpholin-4-ylsulfonylbenzamide
Formula:C26H23N3O4S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-3-morpholin-4-ylsulfonylbenzamide is a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-3-morpholin-4-ylsulfonylbenzamide |
| MolecularFormula | C26H23N3O4S |
| Smiles | O=C(c1cccc(S(N2CCOCC2)(=O)=O)c1)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C26H23N3O4S/c30-26(21-8-5-9-22(17-21)34(31,32)29-12-14-33-15-13-29)28-27-18-25-23-10-3-1-6-19(23)16-20-7-2-4-11-24(20)25/h1-11,16-18H,12-15H2,(H,28,30) |
| InChIK | LOJIHWXUMYFYSH-UHFFFAOYSA-N |
| TotalMolweight | 473.552 |
| Molweight | 473.552 |
| MonoisotopicMass | 473.140927 |
| CLogP | 4.6332 |
| CLogS | -6.139 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 346.61 |
| Relative PSA | 0.22544 |
| PolarSurfaceArea | 96.45 |
| Druglikeness | -1.7207 |
| 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 | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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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