3-hydroxy-N-[(E)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]naphthalene-2-carboxamide
Formula:C22H20N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-hydroxy-N-[(E)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]naphthalene-2-carboxamide is not a drug-like molecule.
| MolName | 3-hydroxy-N-[(E)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]naphthalene-2-carboxamide |
| MolecularFormula | C22H20N2O2 |
| Smiles | Oc1cc2ccccc2cc1C(N/N=C(\CCCC1)/c2c1cccc2)=O |
| InChI | InChI=1S/C22H20N2O2/c25-21-14-17-10-2-1-9-16(17)13-19(21)22(26)24-23-20-12-6-4-8-15-7-3-5-11-18(15)20/h1-3,5,7,9-11,13-14,25H,4,6,8,12H2,(H,24,26) |
| InChIK | ZJKBOOUHPCTYCH-UHFFFAOYSA-N |
| TotalMolweight | 344.413 |
| Molweight | 344.413 |
| MonoisotopicMass | 344.152478 |
| CLogP | 5.065 |
| CLogS | -6.25 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 267.69 |
| Relative PSA | 0.18346 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | -1.8561 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 5 |
| StereoCon |
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1 - 3-hydroxy-N-[(E)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]naphthalene-2-carboxamide | 2 - 3-hydroxy-N-[(E)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]naphthalene-2-carboxamide
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