(2Z)-2-(azepan-2-ylidene)-2-(1H-benzimidazol-2-yl)acetonitrile
Formula:C15H16N4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-(azepan-2-ylidene)-2-(1H-benzimidazol-2-yl)acetonitrile is a drug-like molecule.
| MolName | (2Z)-2-(azepan-2-ylidene)-2-(1H-benzimidazol-2-yl)acetonitrile |
| MolecularFormula | C15H16N4 |
| Smiles | N#C/C(/c1nc(cccc2)c2[nH]1)=C1/NCCCCC1 |
| InChI | InChI=1S/C15H16N4/c16-10-11(12-6-2-1-5-9-17-12)15-18-13-7-3-4-8-14(13)19-15/h3-4,7-8,17H,1-2,5-6,9H2,(H,18,19) |
| InChIK | OEODOCTWHVAGMW-UHFFFAOYSA-N |
| TotalMolweight | 252.32 |
| Molweight | 252.32 |
| MonoisotopicMass | 252.137496 |
| CLogP | 2.0256 |
| CLogS | -2.745 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 207.58 |
| Relative PSA | 0.24077 |
| PolarSurfaceArea | 64.5 |
| Druglikeness | -7.8165 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52632 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 5 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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