N'-(1,3-benzothiazol-2-yl)-4-chloro-N'-(4-chlorobenzoyl)benzohydrazide
Formula:C21H13N3O2Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-(1,3-benzothiazol-2-yl)-4-chloro-N'-(4-chlorobenzoyl)benzohydrazide is not a drug-like molecule.
| MolName | N'-(1,3-benzothiazol-2-yl)-4-chloro-N'-(4-chlorobenzoyl)benzohydrazide |
| MolecularFormula | C21H13N3O2Cl2S |
| Smiles | O=C(c(cc1)ccc1Cl)NN(C(c(cc1)ccc1Cl)=O)c1nc(cccc2)c2s1 |
| InChI | InChI=1S/C21H13Cl2N3O2S/c22-15-9-5-13(6-10-15)19(27)25-26(20(28)14-7-11-16(23)12-8-14)21-24-17-3-1-2-4-18(17)29-21/h1-12H,(H,25,27) |
| InChIK | ZTNDRDCKXHVRPG-UHFFFAOYSA-N |
| TotalMolweight | 442.325 |
| Molweight | 442.325 |
| MonoisotopicMass | 441.010551 |
| CLogP | 5.4846 |
| CLogS | -6.459 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 310.18 |
| Relative PSA | 0.23348 |
| PolarSurfaceArea | 90.54 |
| Druglikeness | 3.1954 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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