[(Z)-[amino-[4-(3,5-dichloropyridin-4-yl)oxyphenyl]methylidene]amino] benzoate
Formula:C19H13N3O3Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-[amino-[4-(3,5-dichloropyridin-4-yl)oxyphenyl]methylidene]amino] benzoate is a drug-like molecule.
| MolName | [(Z)-[amino-[4-(3,5-dichloropyridin-4-yl)oxyphenyl]methylidene]amino] benzoate |
| MolecularFormula | C19H13N3O3Cl2 |
| Smiles | N/C(/c(cc1)ccc1Oc(c(Cl)cnc1)c1Cl)=N\OC(c1ccccc1)=O |
| InChI | InChI=1S/C19H13Cl2N3O3/c20-15-10-23-11-16(21)17(15)26-14-8-6-12(7-9-14)18(22)24-27-19(25)13-4-2-1-3-5-13/h1-11H,(H2,22,24) |
| InChIK | PRADLJKTNPNGRW-UHFFFAOYSA-N |
| TotalMolweight | 402.236 |
| Molweight | 402.236 |
| MonoisotopicMass | 401.033396 |
| CLogP | 4.6788 |
| CLogS | -6.51 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 291.62 |
| Relative PSA | 0.24275 |
| PolarSurfaceArea | 86.8 |
| Druglikeness | -2.6414 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 7 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(Z)-[amino-[4-(3,5-dichloropyridin-4-yl)oxyphenyl]methylidene]amino] benzoate | 2 - [(Z)-[amino-[4-(3,5-dichloropyridin-4-yl)oxyphenyl]methylidene]amino] benzoate
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