4-[[(E)-2-cyanoethenyl]amino]benzonitrile
Formula:C10H7N3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[[(E)-2-cyanoethenyl]amino]benzonitrile is a drug-like molecule.
| MolName | 4-[[(E)-2-cyanoethenyl]amino]benzonitrile |
| MolecularFormula | C10H7N3 |
| Smiles | N#C/C=C/Nc(cc1)ccc1C#N |
| InChI | InChI=1S/C10H7N3/c11-6-1-7-13-10-4-2-9(8-12)3-5-10/h1-5,7,13H |
| InChIK | ZZWRGCTZIYLDIZ-UHFFFAOYSA-N |
| TotalMolweight | 169.187 |
| Molweight | 169.187 |
| MonoisotopicMass | 169.063997 |
| CLogP | 1.0021 |
| CLogS | -3.391 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 154.64 |
| Relative PSA | 0.24948 |
| PolarSurfaceArea | 59.61 |
| Druglikeness | -4.9705 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.84615 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 4-[[(E)-2-cyanoethenyl]amino]benzonitrile | 2 - 4-[[(E)-2-cyanoethenyl]amino]benzonitrile
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