3-hydroxy-N-[(Z)-(3-oxocyclohexylidene)amino]naphthalene-2-carboxamide
Formula:C17H16N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-hydroxy-N-[(Z)-(3-oxocyclohexylidene)amino]naphthalene-2-carboxamide is a drug-like molecule.
| MolName | 3-hydroxy-N-[(Z)-(3-oxocyclohexylidene)amino]naphthalene-2-carboxamide |
| MolecularFormula | C17H16N2O3 |
| Smiles | Oc1cc2ccccc2cc1C(N/N=C(/CCC1)\CC1=O)=O |
| InChI | InChI=1S/C17H16N2O3/c20-14-7-3-6-13(10-14)18-19-17(22)15-8-11-4-1-2-5-12(11)9-16(15)21/h1-2,4-5,8-9,21H,3,6-7,10H2,(H,19,22) |
| InChIK | JFGSWARAKMKECB-UHFFFAOYSA-N |
| TotalMolweight | 296.325 |
| Molweight | 296.325 |
| MonoisotopicMass | 296.116093 |
| CLogP | 3.0926 |
| CLogS | -4.545 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 225.68 |
| Relative PSA | 0.27539 |
| PolarSurfaceArea | 78.76 |
| Druglikeness | -1.0355 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 5 |
| StereoCon |
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1 - 3-hydroxy-N-[(Z)-(3-oxocyclohexylidene)amino]naphthalene-2-carboxamide | 2 - 3-hydroxy-N-[(Z)-(3-oxocyclohexylidene)amino]naphthalene-2-carboxamide
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