N-[(Z)-[3,5-bis(trifluoromethyl)phenyl]methylideneamino]-4-(thiadiazol-4-yl)aniline
Formula:C17H10N4F6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3,5-bis(trifluoromethyl)phenyl]methylideneamino]-4-(thiadiazol-4-yl)aniline is not a drug-like molecule.
| MolName | N-[(Z)-[3,5-bis(trifluoromethyl)phenyl]methylideneamino]-4-(thiadiazol-4-yl)aniline |
| MolecularFormula | C17H10N4F6S |
| Smiles | FC(c1cc(/C=N\Nc(cc2)ccc2-c2csnn2)cc(C(F)(F)F)c1)(F)F |
| InChI | InChI=1S/C17H10F6N4S/c18-16(19,20)12-5-10(6-13(7-12)17(21,22)23)8-24-25-14-3-1-11(2-4-14)15-9-28-27-26-15/h1-9,25H |
| InChIK | WODJPMQIINGDEZ-UHFFFAOYSA-N |
| TotalMolweight | 416.348 |
| Molweight | 416.348 |
| MonoisotopicMass | 416.053034 |
| CLogP | 7.2185 |
| CLogS | -6.12 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 281.38 |
| Relative PSA | 0.23196 |
| PolarSurfaceArea | 78.41 |
| Druglikeness | -8.6324 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| 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 | 10 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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