[(E)-[amino-[6-(4-chlorophenoxy)pyridin-3-yl]methylidene]amino] 4-chlorobenzoate
Formula:C19H13N3O3Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-[amino-[6-(4-chlorophenoxy)pyridin-3-yl]methylidene]amino] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [(E)-[amino-[6-(4-chlorophenoxy)pyridin-3-yl]methylidene]amino] 4-chlorobenzoate |
| MolecularFormula | C19H13N3O3Cl2 |
| Smiles | N/C(/c(cc1)cnc1Oc(cc1)ccc1Cl)=N/OC(c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C19H13Cl2N3O3/c20-14-4-1-12(2-5-14)19(25)27-24-18(22)13-3-10-17(23-11-13)26-16-8-6-15(21)7-9-16/h1-11H,(H2,22,24) |
| InChIK | DIPLAEUDOGIVLK-UHFFFAOYSA-N |
| TotalMolweight | 402.236 |
| Molweight | 402.236 |
| MonoisotopicMass | 401.033396 |
| CLogP | 5.0302 |
| CLogS | -7.035 |
| 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 | 0.7037 |
| 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 | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(E)-[amino-[6-(4-chlorophenoxy)pyridin-3-yl]methylidene]amino] 4-chlorobenzoate | 2 - [(E)-[amino-[6-(4-chlorophenoxy)pyridin-3-yl]methylidene]amino] 4-chlorobenzoate
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