[(E)-[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] 2-cyclohexylacetate
Formula:C16H20N2O2Cl2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] 2-cyclohexylacetate is a drug-like molecule.
| MolName | [(E)-[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] 2-cyclohexylacetate |
| MolecularFormula | C16H20N2O2Cl2 |
| Smiles | N/C(/Cc(ccc(Cl)c1)c1Cl)=N/OC(CC1CCCCC1)=O |
| InChI | InChI=1S/C16H20Cl2N2O2/c17-13-7-6-12(14(18)10-13)9-15(19)20-22-16(21)8-11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2,(H2,19,20) |
| InChIK | ZZBARHREVGIJHO-UHFFFAOYSA-N |
| TotalMolweight | 343.253 |
| Molweight | 343.253 |
| MonoisotopicMass | 342.090182 |
| CLogP | 4.6369 |
| CLogS | -5.399 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 258.66 |
| Relative PSA | 0.19261 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -8.2301 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [(E)-[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] 2-cyclohexylacetate | 2 - [(E)-[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] 2-cyclohexylacetate
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