N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(1-hydroxycyclohexyl)acetamide
Formula:C16H20N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(1-hydroxycyclohexyl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(1-hydroxycyclohexyl)acetamide |
| MolecularFormula | C16H20N2O4 |
| Smiles | OC1(CC(N/N=C\c(cc2)cc3c2OCO3)=O)CCCCC1 |
| InChI | InChI=1S/C16H20N2O4/c19-15(9-16(20)6-2-1-3-7-16)18-17-10-12-4-5-13-14(8-12)22-11-21-13/h4-5,8,10,20H,1-3,6-7,9,11H2,(H,18,19) |
| InChIK | NNAFFCDKTGPNHG-UHFFFAOYSA-N |
| TotalMolweight | 304.345 |
| Molweight | 304.345 |
| MonoisotopicMass | 304.142308 |
| CLogP | 2.8443 |
| CLogS | -4.408 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 233.31 |
| Relative PSA | 0.29622 |
| PolarSurfaceArea | 80.15 |
| Druglikeness | 0.5997 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 11 |
| Symmetricatoms | 2 |
| StereoCon |
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