N-[(E)-furan-2-ylmethylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
Formula:C13H14N4O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(E)-furan-2-ylmethylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is a drug-like molecule.
| MolName | N-[(E)-furan-2-ylmethylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide |
| MolecularFormula | C13H14N4O2 |
| Smiles | O=C(c1n[nH]c2c1CCCC2)N/N=C/c1ccco1 |
| InChI | InChI=1S/C13H14N4O2/c18-13(17-14-8-9-4-3-7-19-9)12-10-5-1-2-6-11(10)15-16-12/h3-4,7-8H,1-2,5-6H2,(H,15,16)(H,17,18) |
| InChIK | CYXUUKRWLUFZPB-UHFFFAOYSA-N |
| TotalMolweight | 258.28 |
| Molweight | 258.28 |
| MonoisotopicMass | 258.111676 |
| CLogP | 1.5487 |
| CLogS | -3.116 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 206.55 |
| Relative PSA | 0.3635 |
| PolarSurfaceArea | 83.28 |
| Druglikeness | 0.86479 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(E)-furan-2-ylmethylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide | 2 - N-[(E)-furan-2-ylmethylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
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