N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
Formula:C26H18N3O3ClS2
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide is not a drug-like molecule.
| MolName | N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide |
| MolecularFormula | C26H18N3O3ClS2 |
| Smiles | O=C(c(cccc1)c1NS(c1cccs1)(=O)=O)N/N=C\c(c1ccccc11)c(cccc2)c2c1Cl |
| InChI | InChI=1S/C26H18ClN3O3S2/c27-25-19-10-3-1-8-17(19)22(18-9-2-4-11-20(18)25)16-28-29-26(31)21-12-5-6-13-23(21)30-35(32,33)24-14-7-15-34-24/h1-16,30H,(H,29,31) |
| InChIK | XPKMRWRGTPYKCW-UHFFFAOYSA-N |
| TotalMolweight | 520.032 |
| Molweight | 520.032 |
| MonoisotopicMass | 519.047809 |
| CLogP | 6.4846 |
| CLogS | -8.919 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 367.35 |
| Relative PSA | 0.26245 |
| PolarSurfaceArea | 124.25 |
| Druglikeness | 6.0692 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.45714 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 1 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon |
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