(6E)-2-cyclohexyl-6-hydroxyimino-4,5,7,7a-tetrahydro-3aH-isoindole-1,3-dione
Formula:C14H20N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(6E)-2-cyclohexyl-6-hydroxyimino-4,5,7,7a-tetrahydro-3aH-isoindole-1,3-dione is a drug-like molecule.
| MolName | (6E)-2-cyclohexyl-6-hydroxyimino-4,5,7,7a-tetrahydro-3aH-isoindole-1,3-dione |
| MolecularFormula | C14H20N2O3 |
| Smiles | O/N=C(\CCC1C(N2C3CCCCC3)=O)/CC1C2=O |
| InChI | InChI=1S/C14H20N2O3/c17-13-11-7-6-9(15-19)8-12(11)14(18)16(13)10-4-2-1-3-5-10/h10-12,19H,1-8H2 |
| InChIK | BCRFUBDKKLLIST-UHFFFAOYSA-N |
| TotalMolweight | 264.324 |
| Molweight | 264.324 |
| MonoisotopicMass | 264.147393 |
| CLogP | 1.9211 |
| CLogS | -3.004 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 195.7 |
| Relative PSA | 0.27716 |
| PolarSurfaceArea | 69.97 |
| Druglikeness | -2.5592 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 2 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Sp3Atoms | 12 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | unknown chirality |
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1 - (6E)-2-cyclohexyl-6-hydroxyimino-4,5,7,7a-tetrahydro-3aH-isoindole-1,3-dione | 2 - (6E)-2-cyclohexyl-6-hydroxyimino-4,5,7,7a-tetrahydro-3aH-isoindole-1,3-dione
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