[(Z)-[6-(4-cyanophenoxy)pyridin-3-yl]methylideneamino] 3-(trifluoromethyl)benzoate
Formula:C21H12N3O3F3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-[6-(4-cyanophenoxy)pyridin-3-yl]methylideneamino] 3-(trifluoromethyl)benzoate is not a drug-like molecule.
| MolName | [(Z)-[6-(4-cyanophenoxy)pyridin-3-yl]methylideneamino] 3-(trifluoromethyl)benzoate |
| MolecularFormula | C21H12N3O3F3 |
| Smiles | N#Cc(cc1)ccc1Oc1ncc(/C=N\OC(c2cccc(C(F)(F)F)c2)=O)cc1 |
| InChI | InChI=1S/C21H12F3N3O3/c22-21(23,24)17-3-1-2-16(10-17)20(28)30-27-13-15-6-9-19(26-12-15)29-18-7-4-14(11-25)5-8-18/h1-10,12-13H |
| InChIK | ABIYMMAZFMIMLD-UHFFFAOYSA-N |
| TotalMolweight | 411.338 |
| Molweight | 411.338 |
| MonoisotopicMass | 411.083076 |
| CLogP | 5.3481 |
| CLogS | -7.349 |
| H Acceptors | 6 |
| TotalSurfaceArea | 305.22 |
| Relative PSA | 0.22633 |
| PolarSurfaceArea | 84.57 |
| Druglikeness | -14.845 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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