[(Z)-1,3-benzodioxol-5-ylmethylideneamino] cyclohexanecarboxylate
Formula:C15H17NO4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(Z)-1,3-benzodioxol-5-ylmethylideneamino] cyclohexanecarboxylate is a drug-like molecule.
| MolName | [(Z)-1,3-benzodioxol-5-ylmethylideneamino] cyclohexanecarboxylate |
| MolecularFormula | C15H17NO4 |
| Smiles | O=C(C1CCCCC1)O/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C15H17NO4/c17-15(12-4-2-1-3-5-12)20-16-9-11-6-7-13-14(8-11)19-10-18-13/h6-9,12H,1-5,10H2 |
| InChIK | ZMACYXSIDYLBQX-UHFFFAOYSA-N |
| TotalMolweight | 275.303 |
| Molweight | 275.303 |
| MonoisotopicMass | 275.115759 |
| CLogP | 3.9298 |
| CLogS | -4.638 |
| H Acceptors | 5 |
| TotalSurfaceArea | 213.83 |
| Relative PSA | 0.25511 |
| PolarSurfaceArea | 57.12 |
| Druglikeness | -7.0265 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 10 |
| Symmetricatoms | 2 |
| StereoCon |
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