N-[(Z)-(2-chloro-1,3-thiazol-5-yl)methylideneamino]-4-(trifluoromethyl)benzamide
Formula:C12H7N3OClF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloro-1,3-thiazol-5-yl)methylideneamino]-4-(trifluoromethyl)benzamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-1,3-thiazol-5-yl)methylideneamino]-4-(trifluoromethyl)benzamide |
| MolecularFormula | C12H7N3OClF3S |
| Smiles | O=C(c1ccc(C(F)(F)F)cc1)N/N=C\c(s1)cnc1Cl |
| InChI | InChI=1S/C12H7ClF3N3OS/c13-11-17-5-9(21-11)6-18-19-10(20)7-1-3-8(4-2-7)12(14,15)16/h1-6H,(H,19,20) |
| InChIK | UKBIEAYOHBRUDB-UHFFFAOYSA-N |
| TotalMolweight | 333.721 |
| Molweight | 333.721 |
| MonoisotopicMass | 332.995043 |
| CLogP | 4.0629 |
| CLogS | -4.947 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 226.57 |
| Relative PSA | 0.29721 |
| PolarSurfaceArea | 82.59 |
| Druglikeness | -1.7663 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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