2-chloro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-5-(trifluoromethyl)aniline
Formula:C16H12N2ClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-chloro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-5-(trifluoromethyl)aniline is not a drug-like molecule.
| MolName | 2-chloro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-5-(trifluoromethyl)aniline |
| MolecularFormula | C16H12N2ClF3 |
| Smiles | FC(c(cc1)cc(N/N=C\C=C\c2ccccc2)c1Cl)(F)F |
| InChI | InChI=1S/C16H12ClF3N2/c17-14-9-8-13(16(18,19)20)11-15(14)22-21-10-4-7-12-5-2-1-3-6-12/h1-11,22H |
| InChIK | MLYUGKRDAHJUTO-UHFFFAOYSA-N |
| TotalMolweight | 324.732 |
| Molweight | 324.732 |
| MonoisotopicMass | 324.064109 |
| CLogP | 6.3135 |
| CLogS | -4.955 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 240.62 |
| Relative PSA | 0.095462 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | -4.8889 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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