[(E)-[amino(phenyl)methylidene]amino] 2-cyclohexylacetate
Formula:C15H20N2O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-[amino(phenyl)methylidene]amino] 2-cyclohexylacetate is a drug-like molecule.
| MolName | [(E)-[amino(phenyl)methylidene]amino] 2-cyclohexylacetate |
| MolecularFormula | C15H20N2O2 |
| Smiles | N/C(/c1ccccc1)=N/OC(CC1CCCCC1)=O |
| InChI | InChI=1S/C15H20N2O2/c16-15(13-9-5-2-6-10-13)17-19-14(18)11-12-7-3-1-4-8-12/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H2,16,17) |
| InChIK | WYMIHGCMPZLCMN-UHFFFAOYSA-N |
| TotalMolweight | 260.336 |
| Molweight | 260.336 |
| MonoisotopicMass | 260.152478 |
| CLogP | 3.4268 |
| CLogS | -3.962 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 214.06 |
| Relative PSA | 0.23274 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -8.3071 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - [(E)-[amino(phenyl)methylidene]amino] 2-cyclohexylacetate | 2 - [(E)-[amino(phenyl)methylidene]amino] 2-cyclohexylacetate
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