3-chloro-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
Formula:C17H10N4O3ClF3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
3-chloro-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine is not a drug-like molecule.
| MolName | 3-chloro-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine |
| MolecularFormula | C17H10N4O3ClF3 |
| Smiles | [O-][N+](c(cc1)ccc1-c1ccc(/C=N\Nc(ncc(C(F)(F)F)c2)c2Cl)o1)=O |
| InChI | InChI=1S/C17H10ClF3N4O3/c18-14-7-11(17(19,20)21)8-22-16(14)24-23-9-13-5-6-15(28-13)10-1-3-12(4-2-10)25(26)27/h1-9H,(H,22,24) |
| InChIK | ZSVBBHWNGHXFMG-UHFFFAOYSA-N |
| TotalMolweight | 410.738 |
| Molweight | 410.738 |
| MonoisotopicMass | 410.039352 |
| CLogP | 5.4926 |
| CLogS | -6.313 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 286 |
| Relative PSA | 0.27437 |
| PolarSurfaceArea | 96.24 |
| Druglikeness | -7.9277 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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