N-[(Z)-cyclohex-3-en-1-ylmethylideneamino]-2,4-dihydroxybenzamide
Formula:C14H16N2O3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-cyclohex-3-en-1-ylmethylideneamino]-2,4-dihydroxybenzamide is a drug-like molecule.
| MolName | N-[(Z)-cyclohex-3-en-1-ylmethylideneamino]-2,4-dihydroxybenzamide |
| MolecularFormula | C14H16N2O3 |
| Smiles | Oc(cc1)cc(O)c1C(N/N=C\C1CC=CCC1)=O |
| InChI | InChI=1S/C14H16N2O3/c17-11-6-7-12(13(18)8-11)14(19)16-15-9-10-4-2-1-3-5-10/h1-2,6-10,17-18H,3-5H2,(H,16,19)/t10-/m1/s1 |
| InChIK | FQESQADCJXWSJK-SNVBAGLBSA-N |
| TotalMolweight | 260.292 |
| Molweight | 260.292 |
| MonoisotopicMass | 260.116093 |
| CLogP | 1.8242 |
| CLogS | -2.979 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 206.71 |
| Relative PSA | 0.30095 |
| PolarSurfaceArea | 81.92 |
| Druglikeness | -0.63875 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| StereoCon | racemate |
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1 - N-[(Z)-cyclohex-3-en-1-ylmethylideneamino]-2,4-dihydroxybenzamide | 2 - N-[(Z)-cyclohex-3-en-1-ylmethylideneamino]-2,4-dihydroxybenzamide
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