[(E)-[amino-[4-(3,5-dichloropyridin-4-yl)oxyphenyl]methylidene]amino] 4-chlorobenzoate
Formula:C19H12N3O3Cl3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-[amino-[4-(3,5-dichloropyridin-4-yl)oxyphenyl]methylidene]amino] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [(E)-[amino-[4-(3,5-dichloropyridin-4-yl)oxyphenyl]methylidene]amino] 4-chlorobenzoate |
| MolecularFormula | C19H12N3O3Cl3 |
| Smiles | N/C(/c(cc1)ccc1Oc(c(Cl)cnc1)c1Cl)=N/OC(c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C19H12Cl3N3O3/c20-13-5-1-12(2-6-13)19(26)28-25-18(23)11-3-7-14(8-4-11)27-17-15(21)9-24-10-16(17)22/h1-10H,(H2,23,25) |
| InChIK | RQZMQRSHEZSSES-UHFFFAOYSA-N |
| TotalMolweight | 436.681 |
| Molweight | 436.681 |
| MonoisotopicMass | 434.994423 |
| CLogP | 5.2848 |
| CLogS | -7.246 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 307.04 |
| Relative PSA | 0.23056 |
| PolarSurfaceArea | 86.8 |
| Druglikeness | -2.6414 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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 - [(E)-[amino-[4-(3,5-dichloropyridin-4-yl)oxyphenyl]methylidene]amino] 4-chlorobenzoate | 2 - [(E)-[amino-[4-(3,5-dichloropyridin-4-yl)oxyphenyl]methylidene]amino] 4-chlorobenzoate
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