[(E)-[1-amino-2-[4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methoxy]phenyl]ethylidene]amino] 3,5-dichlorobenzoate
Formula:C22H15N3O3Cl3F3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
[(E)-[1-amino-2-[4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methoxy]phenyl]ethylidene]amino] 3,5-dichlorobenzoate is not a drug-like molecule.
| MolName | [(E)-[1-amino-2-[4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methoxy]phenyl]ethylidene]amino] 3,5-dichlorobenzoate |
| MolecularFormula | C22H15N3O3Cl3F3 |
| Smiles | N/C(/Cc(cc1)ccc1OCc(ncc(C(F)(F)F)c1)c1Cl)=N/OC(c1cc(Cl)cc(Cl)c1)=O |
| InChI | InChI=1S/C22H15Cl3F3N3O3/c23-15-6-13(7-16(24)9-15)21(32)34-31-20(29)5-12-1-3-17(4-2-12)33-11-19-18(25)8-14(10-30-19)22(26,27)28/h1-4,6-10H,5,11H2,(H2,29,31) |
| InChIK | BRVJDVLANXELIL-UHFFFAOYSA-N |
| TotalMolweight | 532.732 |
| Molweight | 532.732 |
| MonoisotopicMass | 531.013107 |
| CLogP | 6.1377 |
| CLogS | -7.057 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 364.02 |
| Relative PSA | 0.19447 |
| PolarSurfaceArea | 86.8 |
| Druglikeness | -10.027 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.61765 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 7 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(E)-[1-amino-2-[4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methoxy]phenyl]ethylidene]amino] 3,5-dichlorobenzoate | 2 - [(E)-[1-amino-2-[4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methoxy]phenyl]ethylidene]amino] 3,5-dichlorobenzoate
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