(2Z)-2-[[3-[[(Z)-(2-oxocyclohexylidene)methyl]amino]anilino]methylidene]cyclohexan-1-one
Formula:C20H24N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-[[3-[[(Z)-(2-oxocyclohexylidene)methyl]amino]anilino]methylidene]cyclohexan-1-one is a drug-like molecule.
| MolName | (2Z)-2-[[3-[[(Z)-(2-oxocyclohexylidene)methyl]amino]anilino]methylidene]cyclohexan-1-one |
| MolecularFormula | C20H24N2O2 |
| Smiles | O=C(CCCC1)/C1=C\Nc1cccc(N/C=C(/CCCC2)\C2=O)c1 |
| InChI | InChI=1S/C20H24N2O2/c23-19-10-3-1-6-15(19)13-21-17-8-5-9-18(12-17)22-14-16-7-2-4-11-20(16)24/h5,8-9,12-14,21-22H,1-4,6-7,10-11H2 |
| InChIK | GYWKJOPRVKBMEP-UHFFFAOYSA-N |
| TotalMolweight | 324.423 |
| Molweight | 324.423 |
| MonoisotopicMass | 324.183778 |
| CLogP | 2.8634 |
| CLogS | -4.668 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 264.18 |
| Relative PSA | 0.18548 |
| PolarSurfaceArea | 58.2 |
| Druglikeness | -7.2282 |
| 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 | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 11 |
| StereoCon |
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1 - (2Z)-2-[[3-[[(Z)-(2-oxocyclohexylidene)methyl]amino]anilino]methylidene]cyclohexan-1-one | 2 - (2Z)-2-[[3-[[(Z)-(2-oxocyclohexylidene)methyl]amino]anilino]methylidene]cyclohexan-1-one
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