N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]cyclohexanecarboxamide
Formula:C15H18N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]cyclohexanecarboxamide is a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]cyclohexanecarboxamide |
| MolecularFormula | C15H18N2O3 |
| Smiles | O=C(C1CCCCC1)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C15H18N2O3/c18-15(12-4-2-1-3-5-12)17-16-9-11-6-7-13-14(8-11)20-10-19-13/h6-9,12H,1-5,10H2,(H,17,18) |
| InChIK | KGMWGNSRONWRDC-UHFFFAOYSA-N |
| TotalMolweight | 274.319 |
| Molweight | 274.319 |
| MonoisotopicMass | 274.131743 |
| CLogP | 3.2133 |
| CLogS | -4.588 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 215.29 |
| Relative PSA | 0.26016 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | 0.017062 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| StereoCon |
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