(2E)-2-cyano-2-(2,3-dihydroinden-1-ylidene)acetohydrazide
Formula:C12H11N3O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(2E)-2-cyano-2-(2,3-dihydroinden-1-ylidene)acetohydrazide is a drug-like molecule.
| MolName | (2E)-2-cyano-2-(2,3-dihydroinden-1-ylidene)acetohydrazide |
| MolecularFormula | C12H11N3O |
| Smiles | NNC(/C(/C#N)=C(\CC1)/c2c1cccc2)=O |
| InChI | InChI=1S/C12H11N3O/c13-7-11(12(16)15-14)10-6-5-8-3-1-2-4-9(8)10/h1-4H,5-6,14H2,(H,15,16) |
| InChIK | MZFXNXONHZZXMT-UHFFFAOYSA-N |
| TotalMolweight | 213.239 |
| Molweight | 213.239 |
| MonoisotopicMass | 213.090212 |
| CLogP | 0.2686 |
| CLogS | -2.672 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 169.64 |
| Relative PSA | 0.31437 |
| PolarSurfaceArea | 78.91 |
| Druglikeness | -9.6524 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; hydrazine |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| StereoCon |
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