(Z)-N-(2-benzylsulfanylbenzimidazol-1-yl)-1-phenylmethanimine
Formula:C21H17N3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-(2-benzylsulfanylbenzimidazol-1-yl)-1-phenylmethanimine is not a drug-like molecule.
| MolName | (Z)-N-(2-benzylsulfanylbenzimidazol-1-yl)-1-phenylmethanimine |
| MolecularFormula | C21H17N3S |
| Smiles | C(c1ccccc1)Sc1nc(cccc2)c2n1/N=C\c1ccccc1 |
| InChI | InChI=1S/C21H17N3S/c1-3-9-17(10-4-1)15-22-24-20-14-8-7-13-19(20)23-21(24)25-16-18-11-5-2-6-12-18/h1-15H,16H2 |
| InChIK | UXXIRNNQMKZUST-UHFFFAOYSA-N |
| TotalMolweight | 343.453 |
| Molweight | 343.453 |
| MonoisotopicMass | 343.114317 |
| CLogP | 5.2615 |
| CLogS | -7.769 |
| H Acceptors | 3 |
| TotalSurfaceArea | 271.35 |
| Relative PSA | 0.17262 |
| PolarSurfaceArea | 55.48 |
| Druglikeness | 3.5612 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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