N-[(Z)-2,3-dihydro-1H-inden-5-ylmethylideneamino]-3-hydroxynaphthalene-2-carboxamide
Formula:C21H18N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-2,3-dihydro-1H-inden-5-ylmethylideneamino]-3-hydroxynaphthalene-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-2,3-dihydro-1H-inden-5-ylmethylideneamino]-3-hydroxynaphthalene-2-carboxamide |
| MolecularFormula | C21H18N2O2 |
| Smiles | Oc1cc2ccccc2cc1C(N/N=C\c1cc(CCC2)c2cc1)=O |
| InChI | InChI=1S/C21H18N2O2/c24-20-12-18-5-2-1-4-17(18)11-19(20)21(25)23-22-13-14-8-9-15-6-3-7-16(15)10-14/h1-2,4-5,8-13,24H,3,6-7H2,(H,23,25) |
| InChIK | VNWOOBPTCNRICN-UHFFFAOYSA-N |
| TotalMolweight | 330.386 |
| Molweight | 330.386 |
| MonoisotopicMass | 330.136828 |
| CLogP | 4.8651 |
| CLogS | -5.853 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 255.72 |
| Relative PSA | 0.19205 |
| 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 | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 4 |
| StereoCon |
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1 - N-[(Z)-2,3-dihydro-1H-inden-5-ylmethylideneamino]-3-hydroxynaphthalene-2-carboxamide | 2 - N-[(Z)-2,3-dihydro-1H-inden-5-ylmethylideneamino]-3-hydroxynaphthalene-2-carboxamide
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