N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]-2-(4-fluoroanilino)acetamide
Formula:C23H17N3OClF
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]-2-(4-fluoroanilino)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]-2-(4-fluoroanilino)acetamide |
| MolecularFormula | C23H17N3OClF |
| Smiles | O=C(CNc(cc1)ccc1F)N/N=C\c(c1ccccc11)c(cccc2)c2c1Cl |
| InChI | InChI=1S/C23H17ClFN3O/c24-23-19-7-3-1-5-17(19)21(18-6-2-4-8-20(18)23)13-27-28-22(29)14-26-16-11-9-15(25)10-12-16/h1-13,26H,14H2,(H,28,29) |
| InChIK | BHZMJHRMJYFZSC-UHFFFAOYSA-N |
| TotalMolweight | 405.859 |
| Molweight | 405.859 |
| MonoisotopicMass | 405.104417 |
| CLogP | 5.5891 |
| CLogS | -7.805 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 303.18 |
| Relative PSA | 0.15657 |
| PolarSurfaceArea | 53.49 |
| Druglikeness | 3.7057 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Symmetricatoms | 8 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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