2-chloro-N-[(Z)-naphthalen-1-ylmethylideneamino]-5-(trifluoromethyl)aniline
Formula:C18H12N2ClF3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-chloro-N-[(Z)-naphthalen-1-ylmethylideneamino]-5-(trifluoromethyl)aniline is not a drug-like molecule.
| MolName | 2-chloro-N-[(Z)-naphthalen-1-ylmethylideneamino]-5-(trifluoromethyl)aniline |
| MolecularFormula | C18H12N2ClF3 |
| Smiles | FC(c(cc1)cc(N/N=C\c2cccc3ccccc23)c1Cl)(F)F |
| InChI | InChI=1S/C18H12ClF3N2/c19-16-9-8-14(18(20,21)22)10-17(16)24-23-11-13-6-3-5-12-4-1-2-7-15(12)13/h1-11,24H |
| InChIK | YHXIFPSMJSLVHV-UHFFFAOYSA-N |
| TotalMolweight | 348.754 |
| Molweight | 348.754 |
| MonoisotopicMass | 348.064109 |
| CLogP | 7.4896 |
| CLogS | -6.269 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 248.72 |
| Relative PSA | 0.092353 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | -4.8055 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 2-chloro-N-[(Z)-naphthalen-1-ylmethylideneamino]-5-(trifluoromethyl)aniline | 2 - 2-chloro-N-[(Z)-naphthalen-1-ylmethylideneamino]-5-(trifluoromethyl)aniline
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