[(E)-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-phenylmethylidene]amino] N-(2,4-dichlorophenyl)carbamate
Formula:C20H11N3O2Cl3F3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
[(E)-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-phenylmethylidene]amino] N-(2,4-dichlorophenyl)carbamate is not a drug-like molecule.
| MolName | [(E)-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-phenylmethylidene]amino] N-(2,4-dichlorophenyl)carbamate |
| MolecularFormula | C20H11N3O2Cl3F3 |
| Smiles | O=C(Nc(ccc(Cl)c1)c1Cl)O/N=C(\c1ccccc1)/c(ncc(C(F)(F)F)c1)c1Cl |
| InChI | InChI=1S/C20H11Cl3F3N3O2/c21-13-6-7-16(14(22)9-13)28-19(30)31-29-17(11-4-2-1-3-5-11)18-15(23)8-12(10-27-18)20(24,25)26/h1-10H,(H,28,30) |
| InChIK | GFZXOCDXYDCBQR-UHFFFAOYSA-N |
| TotalMolweight | 488.679 |
| Molweight | 488.679 |
| MonoisotopicMass | 486.986892 |
| CLogP | 6.8281 |
| CLogS | -8.278 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 329.44 |
| Relative PSA | 0.17296 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | -12.655 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(E)-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-phenylmethylidene]amino] N-(2,4-dichlorophenyl)carbamate | 2 - [(E)-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-phenylmethylidene]amino] N-(2,4-dichlorophenyl)carbamate
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