N-[(Z)-furan-2-ylmethylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
Formula:C17H14N4O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-furan-2-ylmethylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-furan-2-ylmethylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide |
| MolecularFormula | C17H14N4O2 |
| Smiles | O=C(c1c(CCc2c-3cccc2)c3n[nH]1)N/N=C\c1ccco1 |
| InChI | InChI=1S/C17H14N4O2/c22-17(21-18-10-12-5-3-9-23-12)16-14-8-7-11-4-1-2-6-13(11)15(14)19-20-16/h1-6,9-10H,7-8H2,(H,19,20)(H,21,22) |
| InChIK | ARYIDDOYEGVXIM-UHFFFAOYSA-N |
| TotalMolweight | 306.324 |
| Molweight | 306.324 |
| MonoisotopicMass | 306.111676 |
| CLogP | 2.5609 |
| CLogS | -4.33 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 238.79 |
| Relative PSA | 0.31442 |
| PolarSurfaceArea | 83.28 |
| Druglikeness | 4.4673 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-furan-2-ylmethylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide | 2 - N-[(Z)-furan-2-ylmethylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
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