[(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] 2-cyclohexylacetate
Formula:C20H24N2O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
[(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] 2-cyclohexylacetate is a drug-like molecule.
| MolName | [(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] 2-cyclohexylacetate |
| MolecularFormula | C20H24N2O2 |
| Smiles | N/C(/Cc1cccc2ccccc12)=N/OC(CC1CCCCC1)=O |
| InChI | InChI=1S/C20H24N2O2/c21-19(22-24-20(23)13-15-7-2-1-3-8-15)14-17-11-6-10-16-9-4-5-12-18(16)17/h4-6,9-12,15H,1-3,7-8,13-14H2,(H2,21,22) |
| InChIK | VFOHXFYNIFNSLY-UHFFFAOYSA-N |
| TotalMolweight | 324.423 |
| Molweight | 324.423 |
| MonoisotopicMass | 324.183778 |
| CLogP | 4.6193 |
| CLogS | -5.533 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 262.42 |
| Relative PSA | 0.18985 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -8.3195 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] 2-cyclohexylacetate | 2 - [(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] 2-cyclohexylacetate
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