[(E)-1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino] N-cyclohexylcarbamate
Formula:C20H22N2O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino] N-cyclohexylcarbamate is not a drug-like molecule.
| MolName | [(E)-1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino] N-cyclohexylcarbamate |
| MolecularFormula | C20H22N2O2 |
| Smiles | O=C(NC1CCCCC1)O/N=C(\CC1)/c2c1c1ccccc1cc2 |
| InChI | InChI=1S/C20H22N2O2/c23-20(21-15-7-2-1-3-8-15)24-22-19-13-12-17-16-9-5-4-6-14(16)10-11-18(17)19/h4-6,9-11,15H,1-3,7-8,12-13H2,(H,21,23) |
| InChIK | MPUSTNGNVFBHHK-UHFFFAOYSA-N |
| TotalMolweight | 322.407 |
| Molweight | 322.407 |
| MonoisotopicMass | 322.168128 |
| CLogP | 5.2841 |
| CLogS | -6.639 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 251.86 |
| Relative PSA | 0.18268 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | -14.615 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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