[(E)-[amino-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylidene]amino] N-[3-(trifluoromethyl)phenyl]carbamate
Formula:C15H9N4O2ClF6
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
[(E)-[amino-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylidene]amino] N-[3-(trifluoromethyl)phenyl]carbamate is a drug-like molecule.
| MolName | [(E)-[amino-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylidene]amino] N-[3-(trifluoromethyl)phenyl]carbamate |
| MolecularFormula | C15H9N4O2ClF6 |
| Smiles | N/C(/c(ncc(C(F)(F)F)c1)c1Cl)=N/OC(Nc1cc(C(F)(F)F)ccc1)=O |
| InChI | InChI=1S/C15H9ClF6N4O2/c16-10-5-8(15(20,21)22)6-24-11(10)12(23)26-28-13(27)25-9-3-1-2-7(4-9)14(17,18)19/h1-6H,(H2,23,26)(H,25,27) |
| InChIK | FDQDJSQIWMSGPM-UHFFFAOYSA-N |
| TotalMolweight | 426.703 |
| Molweight | 426.703 |
| MonoisotopicMass | 426.031821 |
| CLogP | 4.4217 |
| CLogS | -5.573 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 276.82 |
| Relative PSA | 0.261 |
| PolarSurfaceArea | 89.6 |
| Druglikeness | -12.841 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(E)-[amino-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylidene]amino] N-[3-(trifluoromethyl)phenyl]carbamate | 2 - [(E)-[amino-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylidene]amino] N-[3-(trifluoromethyl)phenyl]carbamate
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