(2Z)-2-(1,3-benzothiazol-2-yl)-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetamide
Formula:C16H11N4OF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-(1,3-benzothiazol-2-yl)-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetamide is a drug-like molecule.
| MolName | (2Z)-2-(1,3-benzothiazol-2-yl)-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetamide |
| MolecularFormula | C16H11N4OF3S |
| Smiles | NC(/C(/c1nc(cccc2)c2s1)=N/Nc1cc(C(F)(F)F)ccc1)=O |
| InChI | InChI=1S/C16H11F3N4OS/c17-16(18,19)9-4-3-5-10(8-9)22-23-13(14(20)24)15-21-11-6-1-2-7-12(11)25-15/h1-8,22H,(H2,20,24) |
| InChIK | RFQVEEVSSMKERF-UHFFFAOYSA-N |
| TotalMolweight | 364.35 |
| Molweight | 364.35 |
| MonoisotopicMass | 364.060565 |
| CLogP | 3.9602 |
| CLogS | -4.102 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 252.48 |
| Relative PSA | 0.32719 |
| PolarSurfaceArea | 108.61 |
| Druglikeness | -3.3695 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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