[(E)-[(2E)-2-benzylidenecyclohexylidene]amino] N-phenylcarbamate
Formula:C20H20N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[(2E)-2-benzylidenecyclohexylidene]amino] N-phenylcarbamate is not a drug-like molecule.
| MolName | [(E)-[(2E)-2-benzylidenecyclohexylidene]amino] N-phenylcarbamate |
| MolecularFormula | C20H20N2O2 |
| Smiles | O=C(Nc1ccccc1)O/N=C(\CCCC1)/C1=C/c1ccccc1 |
| InChI | InChI=1S/C20H20N2O2/c23-20(21-18-12-5-2-6-13-18)24-22-19-14-8-7-11-17(19)15-16-9-3-1-4-10-16/h1-6,9-10,12-13,15H,7-8,11,14H2,(H,21,23) |
| InChIK | LKOSOOKZYUARPW-UHFFFAOYSA-N |
| TotalMolweight | 320.391 |
| Molweight | 320.391 |
| MonoisotopicMass | 320.152478 |
| CLogP | 5.4099 |
| CLogS | -5.543 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 261.45 |
| Relative PSA | 0.17598 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | -9.904 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - [(E)-[(2E)-2-benzylidenecyclohexylidene]amino] N-phenylcarbamate | 2 - [(E)-[(2E)-2-benzylidenecyclohexylidene]amino] N-phenylcarbamate
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