3-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]propanenitrile
Formula:C9H10N4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]propanenitrile is a drug-like molecule.
| MolName | 3-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]propanenitrile |
| MolecularFormula | C9H10N4 |
| Smiles | N#CCCN/N=C\c1ccncc1 |
| InChI | InChI=1S/C9H10N4/c10-4-1-5-12-13-8-9-2-6-11-7-3-9/h2-3,6-8,12H,1,5H2 |
| InChIK | YRIGOFKRUAXIRU-UHFFFAOYSA-N |
| TotalMolweight | 174.206 |
| Molweight | 174.206 |
| MonoisotopicMass | 174.090546 |
| CLogP | 0.8065 |
| CLogS | -2.192 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 157.47 |
| Relative PSA | 0.30164 |
| PolarSurfaceArea | 61.07 |
| Druglikeness | -4.1345 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.84615 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 3-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]propanenitrile | 2 - 3-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]propanenitrile
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off