[(E)-[amino-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylidene]amino] N-phenylcarbamate
Formula:C14H10N4O2ClF3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
[(E)-[amino-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylidene]amino] N-phenylcarbamate is a drug-like molecule.
| MolName | [(E)-[amino-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylidene]amino] N-phenylcarbamate |
| MolecularFormula | C14H10N4O2ClF3 |
| Smiles | N/C(/c(ncc(C(F)(F)F)c1)c1Cl)=N/OC(Nc1ccccc1)=O |
| InChI | InChI=1S/C14H10ClF3N4O2/c15-10-6-8(14(16,17)18)7-20-11(10)12(19)22-24-13(23)21-9-4-2-1-3-5-9/h1-7H,(H2,19,22)(H,21,23) |
| InChIK | BQTDXCPMBRQCAA-UHFFFAOYSA-N |
| TotalMolweight | 358.706 |
| Molweight | 358.706 |
| MonoisotopicMass | 358.044437 |
| CLogP | 3.5734 |
| CLogS | -4.795 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 247.36 |
| Relative PSA | 0.29208 |
| PolarSurfaceArea | 89.6 |
| Druglikeness | -12.841 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| 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-phenylcarbamate | 2 - [(E)-[amino-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylidene]amino] N-phenylcarbamate
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