[(Z)-[6-(4-cyanophenoxy)pyridin-3-yl]methylideneamino] 2,4-dichlorobenzoate
Formula:C20H11N3O3Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-[6-(4-cyanophenoxy)pyridin-3-yl]methylideneamino] 2,4-dichlorobenzoate is not a drug-like molecule.
| MolName | [(Z)-[6-(4-cyanophenoxy)pyridin-3-yl]methylideneamino] 2,4-dichlorobenzoate |
| MolecularFormula | C20H11N3O3Cl2 |
| Smiles | N#Cc(cc1)ccc1Oc1ncc(/C=N\OC(c(ccc(Cl)c2)c2Cl)=O)cc1 |
| InChI | InChI=1S/C20H11Cl2N3O3/c21-15-4-7-17(18(22)9-15)20(26)28-25-12-14-3-8-19(24-11-14)27-16-5-1-13(10-23)2-6-16/h1-9,11-12H |
| InChIK | FRAYPVAABOJWTH-UHFFFAOYSA-N |
| TotalMolweight | 412.231 |
| Molweight | 412.231 |
| MonoisotopicMass | 411.017746 |
| CLogP | 5.7118 |
| CLogS | -8.043 |
| H Acceptors | 6 |
| TotalSurfaceArea | 306.6 |
| Relative PSA | 0.22531 |
| PolarSurfaceArea | 84.57 |
| Druglikeness | -7.5517 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(Z)-[6-(4-cyanophenoxy)pyridin-3-yl]methylideneamino] 2,4-dichlorobenzoate | 2 - [(Z)-[6-(4-cyanophenoxy)pyridin-3-yl]methylideneamino] 2,4-dichlorobenzoate
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