[(Z)-1,3-benzodioxol-5-ylmethylideneamino] N-cyclohexylcarbamate
Formula:C15H18N2O4
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
[(Z)-1,3-benzodioxol-5-ylmethylideneamino] N-cyclohexylcarbamate is a drug-like molecule.
| MolName | [(Z)-1,3-benzodioxol-5-ylmethylideneamino] N-cyclohexylcarbamate |
| MolecularFormula | C15H18N2O4 |
| Smiles | O=C(NC1CCCCC1)O/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C15H18N2O4/c18-15(17-12-4-2-1-3-5-12)21-16-9-11-6-7-13-14(8-11)20-10-19-13/h6-9,12H,1-5,10H2,(H,17,18) |
| InChIK | IRQJZBRTSODFRX-UHFFFAOYSA-N |
| TotalMolweight | 290.318 |
| Molweight | 290.318 |
| MonoisotopicMass | 290.126658 |
| CLogP | 3.8704 |
| CLogS | -5.065 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 225.29 |
| Relative PSA | 0.293 |
| PolarSurfaceArea | 69.15 |
| Druglikeness | -15.033 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 10 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - [(Z)-1,3-benzodioxol-5-ylmethylideneamino] N-cyclohexylcarbamate | 2 - [(Z)-1,3-benzodioxol-5-ylmethylideneamino] N-cyclohexylcarbamate
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