N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
Formula:C24H17N3OClF3
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide |
| MolecularFormula | C24H17N3OClF3 |
| Smiles | O=C(CNc1cc(C(F)(F)F)ccc1)N/N=C\c(c1ccccc11)c(cccc2)c2c1Cl |
| InChI | InChI=1S/C24H17ClF3N3O/c25-23-19-10-3-1-8-17(19)21(18-9-2-4-11-20(18)23)13-30-31-22(32)14-29-16-7-5-6-15(12-16)24(26,27)28/h1-13,29H,14H2,(H,31,32) |
| InChIK | BTJSMSRLMBBJOQ-UHFFFAOYSA-N |
| TotalMolweight | 455.866 |
| Molweight | 455.866 |
| MonoisotopicMass | 455.101223 |
| CLogP | 6.3366 |
| CLogS | -8.269 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 326.29 |
| Relative PSA | 0.14548 |
| PolarSurfaceArea | 53.49 |
| Druglikeness | -2.1443 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide | 2 - N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
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