3-chloro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
Formula:C11H6N4O3ClF3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
3-chloro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine is a drug-like molecule.
| MolName | 3-chloro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine |
| MolecularFormula | C11H6N4O3ClF3 |
| Smiles | [O-][N+](c1ccc(/C=N\Nc(ncc(C(F)(F)F)c2)c2Cl)o1)=O |
| InChI | InChI=1S/C11H6ClF3N4O3/c12-8-3-6(11(13,14)15)4-16-10(8)18-17-5-7-1-2-9(22-7)19(20)21/h1-5H,(H,16,18) |
| InChIK | GTLVOKMCMOTNAY-UHFFFAOYSA-N |
| TotalMolweight | 334.641 |
| Molweight | 334.641 |
| MonoisotopicMass | 334.008052 |
| CLogP | 4.0938 |
| CLogS | -5.06 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 226.24 |
| Relative PSA | 0.34684 |
| PolarSurfaceArea | 96.24 |
| Druglikeness | -6.1867 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 3-chloro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine | 2 - 3-chloro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
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