3-[(2Z)-2-[2-(1H-benzimidazol-2-yl)-1-(3-chlorophenyl)ethylidene]hydrazinyl]propanenitrile
Formula:C18H16N5Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(2Z)-2-[2-(1H-benzimidazol-2-yl)-1-(3-chlorophenyl)ethylidene]hydrazinyl]propanenitrile is a drug-like molecule.
| MolName | 3-[(2Z)-2-[2-(1H-benzimidazol-2-yl)-1-(3-chlorophenyl)ethylidene]hydrazinyl]propanenitrile |
| MolecularFormula | C18H16N5Cl |
| Smiles | N#CCCN/N=C(/Cc1nc(cccc2)c2[nH]1)\c1cccc(Cl)c1 |
| InChI | InChI=1S/C18H16ClN5/c19-14-6-3-5-13(11-14)17(24-21-10-4-9-20)12-18-22-15-7-1-2-8-16(15)23-18/h1-3,5-8,11,21H,4,10,12H2,(H,22,23) |
| InChIK | SMRMBHUPPVUBPK-UHFFFAOYSA-N |
| TotalMolweight | 337.813 |
| Molweight | 337.813 |
| MonoisotopicMass | 337.109422 |
| CLogP | 3.2823 |
| CLogS | -4.713 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 268.79 |
| Relative PSA | 0.22877 |
| PolarSurfaceArea | 76.86 |
| Druglikeness | -4.1923 |
| 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 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 3-[(2Z)-2-[2-(1H-benzimidazol-2-yl)-1-(3-chlorophenyl)ethylidene]hydrazinyl]propanenitrile | 2 - 3-[(2Z)-2-[2-(1H-benzimidazol-2-yl)-1-(3-chlorophenyl)ethylidene]hydrazinyl]propanenitrile
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