3-[(2Z)-2-[2-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)ethylidene]hydrazinyl]propanenitrile
Formula:C18H16N5Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(2Z)-2-[2-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)ethylidene]hydrazinyl]propanenitrile is a drug-like molecule.
| MolName | 3-[(2Z)-2-[2-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)ethylidene]hydrazinyl]propanenitrile |
| MolecularFormula | C18H16N5Br |
| Smiles | N#CCCN/N=C(/Cc1nc(cccc2)c2[nH]1)\c(cc1)ccc1Br |
| InChI | InChI=1S/C18H16BrN5/c19-14-8-6-13(7-9-14)17(24-21-11-3-10-20)12-18-22-15-4-1-2-5-16(15)23-18/h1-2,4-9,21H,3,11-12H2,(H,22,23) |
| InChIK | WTFWFBHRFSIZLU-UHFFFAOYSA-N |
| TotalMolweight | 382.264 |
| Molweight | 382.264 |
| MonoisotopicMass | 381.058906 |
| CLogP | 3.4015 |
| CLogS | -4.811 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 272 |
| Relative PSA | 0.22607 |
| PolarSurfaceArea | 76.86 |
| Druglikeness | -6.0088 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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