2-chloro-N-[(Z)-quinolin-6-ylmethylideneamino]-5-(trifluoromethyl)aniline
Formula:C17H11N3ClF3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-chloro-N-[(Z)-quinolin-6-ylmethylideneamino]-5-(trifluoromethyl)aniline is not a drug-like molecule.
| MolName | 2-chloro-N-[(Z)-quinolin-6-ylmethylideneamino]-5-(trifluoromethyl)aniline |
| MolecularFormula | C17H11N3ClF3 |
| Smiles | FC(c(cc1)cc(N/N=C\c2cc3cccnc3cc2)c1Cl)(F)F |
| InChI | InChI=1S/C17H11ClF3N3/c18-14-5-4-13(17(19,20)21)9-16(14)24-23-10-11-3-6-15-12(8-11)2-1-7-22-15/h1-10,24H |
| InChIK | QCDKWCRHJQELQR-UHFFFAOYSA-N |
| TotalMolweight | 349.742 |
| Molweight | 349.742 |
| MonoisotopicMass | 349.059358 |
| CLogP | 6.6112 |
| CLogS | -5.369 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 247.48 |
| Relative PSA | 0.13714 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | -4.8055 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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