N'-[(E)-1-amino-2-cyanoethenyl]benzohydrazide
Formula:C10H10N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(E)-1-amino-2-cyanoethenyl]benzohydrazide is a drug-like molecule.
| MolName | N'-[(E)-1-amino-2-cyanoethenyl]benzohydrazide |
| MolecularFormula | C10H10N4O |
| Smiles | N/C(/NNC(c1ccccc1)=O)=C\C#N |
| InChI | InChI=1S/C10H10N4O/c11-7-6-9(12)13-14-10(15)8-4-2-1-3-5-8/h1-6,13H,12H2,(H,14,15) |
| InChIK | XFEAYEHJPXRGFS-UHFFFAOYSA-N |
| TotalMolweight | 202.216 |
| Molweight | 202.216 |
| MonoisotopicMass | 202.085461 |
| CLogP | -0.4175 |
| CLogS | -3.867 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 168.87 |
| Relative PSA | 0.38367 |
| PolarSurfaceArea | 90.94 |
| Druglikeness | -2.087 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.73333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Symmetricatoms | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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