N-[(E)-2,3-dihydro-1H-inden-5-ylmethylideneamino]-2-hydroxybenzamide
Formula:C17H16N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-2,3-dihydro-1H-inden-5-ylmethylideneamino]-2-hydroxybenzamide is a drug-like molecule.
| MolName | N-[(E)-2,3-dihydro-1H-inden-5-ylmethylideneamino]-2-hydroxybenzamide |
| MolecularFormula | C17H16N2O2 |
| Smiles | Oc(cccc1)c1C(N/N=C/c1cc(CCC2)c2cc1)=O |
| InChI | InChI=1S/C17H16N2O2/c20-16-7-2-1-6-15(16)17(21)19-18-11-12-8-9-13-4-3-5-14(13)10-12/h1-2,6-11,20H,3-5H2,(H,19,21) |
| InChIK | WAHZSOZHLCYJJD-UHFFFAOYSA-N |
| TotalMolweight | 280.326 |
| Molweight | 280.326 |
| MonoisotopicMass | 280.121178 |
| CLogP | 3.6707 |
| CLogS | -4.247 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 221.12 |
| Relative PSA | 0.2221 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | 1.3538 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| StereoCon |
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1 - N-[(E)-2,3-dihydro-1H-inden-5-ylmethylideneamino]-2-hydroxybenzamide | 2 - N-[(E)-2,3-dihydro-1H-inden-5-ylmethylideneamino]-2-hydroxybenzamide
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