[(E)-[amino-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]amino] 4-chlorobenzoate
Formula:C20H13N3O3ClF3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-[amino-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]amino] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [(E)-[amino-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]amino] 4-chlorobenzoate |
| MolecularFormula | C20H13N3O3ClF3 |
| Smiles | N/C(/c(cc1)ccc1Oc1ncc(C(F)(F)F)cc1)=N/OC(c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C20H13ClF3N3O3/c21-15-6-1-13(2-7-15)19(28)30-27-18(25)12-3-8-16(9-4-12)29-17-10-5-14(11-26-17)20(22,23)24/h1-11H,(H2,25,27) |
| InChIK | CNQUYUITIVYHLE-UHFFFAOYSA-N |
| TotalMolweight | 435.788 |
| Molweight | 435.788 |
| MonoisotopicMass | 435.059753 |
| CLogP | 5.2725 |
| CLogS | -7.077 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 305.66 |
| Relative PSA | 0.2316 |
| PolarSurfaceArea | 86.8 |
| Druglikeness | -9.8314 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(E)-[amino-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]amino] 4-chlorobenzoate | 2 - [(E)-[amino-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]amino] 4-chlorobenzoate
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