[(E)-[amino-(4-chlorophenyl)methylidene]amino] 2-cyclohexylacetate
Formula:C15H19N2O2Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-[amino-(4-chlorophenyl)methylidene]amino] 2-cyclohexylacetate is a drug-like molecule.
| MolName | [(E)-[amino-(4-chlorophenyl)methylidene]amino] 2-cyclohexylacetate |
| MolecularFormula | C15H19N2O2Cl |
| Smiles | N/C(/c(cc1)ccc1Cl)=N/OC(CC1CCCCC1)=O |
| InChI | InChI=1S/C15H19ClN2O2/c16-13-8-6-12(7-9-13)15(17)18-20-14(19)10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H2,17,18) |
| InChIK | LCCIRESDTQRNPV-UHFFFAOYSA-N |
| TotalMolweight | 294.781 |
| Molweight | 294.781 |
| MonoisotopicMass | 294.113505 |
| CLogP | 4.0328 |
| CLogS | -4.698 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 229.48 |
| Relative PSA | 0.2171 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -8.2193 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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-(4-chlorophenyl)methylidene]amino] 2-cyclohexylacetate | 2 - [(E)-[amino-(4-chlorophenyl)methylidene]amino] 2-cyclohexylacetate
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