[(E)-[1-amino-2-[3-(trifluoromethyl)pyridin-2-yl]sulfanylethylidene]amino] N-(3-chlorophenyl)carbamate
Formula:C15H12N4O2ClF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[1-amino-2-[3-(trifluoromethyl)pyridin-2-yl]sulfanylethylidene]amino] N-(3-chlorophenyl)carbamate is a drug-like molecule.
| MolName | [(E)-[1-amino-2-[3-(trifluoromethyl)pyridin-2-yl]sulfanylethylidene]amino] N-(3-chlorophenyl)carbamate |
| MolecularFormula | C15H12N4O2ClF3S |
| Smiles | N/C(/CSc1ncccc1C(F)(F)F)=N/OC(Nc1cccc(Cl)c1)=O |
| InChI | InChI=1S/C15H12ClF3N4O2S/c16-9-3-1-4-10(7-9)22-14(24)25-23-12(20)8-26-13-11(15(17,18)19)5-2-6-21-13/h1-7H,8H2,(H2,20,23)(H,22,24) |
| InChIK | AJPOLUMZHIWDAD-UHFFFAOYSA-N |
| TotalMolweight | 404.799 |
| Molweight | 404.799 |
| MonoisotopicMass | 404.032157 |
| CLogP | 3.8296 |
| CLogS | -5.076 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 278.61 |
| Relative PSA | 0.3221 |
| PolarSurfaceArea | 114.9 |
| Druglikeness | -12.328 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(E)-[1-amino-2-[3-(trifluoromethyl)pyridin-2-yl]sulfanylethylidene]amino] N-(3-chlorophenyl)carbamate | 2 - [(E)-[1-amino-2-[3-(trifluoromethyl)pyridin-2-yl]sulfanylethylidene]amino] N-(3-chlorophenyl)carbamate
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