N-[(Z)-[2-(4-chlorophenoxy)phenyl]methylideneamino]-4-(trifluoromethyl)benzamide
Formula:C21H14N2O2ClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-(4-chlorophenoxy)phenyl]methylideneamino]-4-(trifluoromethyl)benzamide is not a drug-like molecule.
| MolName | N-[(Z)-[2-(4-chlorophenoxy)phenyl]methylideneamino]-4-(trifluoromethyl)benzamide |
| MolecularFormula | C21H14N2O2ClF3 |
| Smiles | O=C(c1ccc(C(F)(F)F)cc1)N/N=C\c(cccc1)c1Oc(cc1)ccc1Cl |
| InChI | InChI=1S/C21H14ClF3N2O2/c22-17-9-11-18(12-10-17)29-19-4-2-1-3-15(19)13-26-27-20(28)14-5-7-16(8-6-14)21(23,24)25/h1-13H,(H,27,28) |
| InChIK | CKCDVCLEZYNUBO-UHFFFAOYSA-N |
| TotalMolweight | 418.801 |
| Molweight | 418.801 |
| MonoisotopicMass | 418.069589 |
| CLogP | 6.0515 |
| CLogS | -7.532 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 301.63 |
| Relative PSA | 0.15254 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | -2.8542 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| StereoCon |
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