N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-chloro-5-(trifluoromethyl)aniline
Formula:C16H11N2BrClF3
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-chloro-5-(trifluoromethyl)aniline is not a drug-like molecule.
| MolName | N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-chloro-5-(trifluoromethyl)aniline |
| MolecularFormula | C16H11N2BrClF3 |
| Smiles | FC(c(cc1)cc(N/N=C\C(\Br)=C\c2ccccc2)c1Cl)(F)F |
| InChI | InChI=1S/C16H11BrClF3N2/c17-13(8-11-4-2-1-3-5-11)10-22-23-15-9-12(16(19,20)21)6-7-14(15)18/h1-10,23H |
| InChIK | XODIBMNBXZLXCD-UHFFFAOYSA-N |
| TotalMolweight | 403.628 |
| Molweight | 403.628 |
| MonoisotopicMass | 401.97462 |
| CLogP | 6.9061 |
| CLogS | -5.788 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 257.46 |
| Relative PSA | 0.089218 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | -9.981 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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