[(E)-[amino-(3-bromophenyl)methylidene]amino] 2-cyclohexylacetate
Formula:C15H19N2O2Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-[amino-(3-bromophenyl)methylidene]amino] 2-cyclohexylacetate is a drug-like molecule.
| MolName | [(E)-[amino-(3-bromophenyl)methylidene]amino] 2-cyclohexylacetate |
| MolecularFormula | C15H19N2O2Br |
| Smiles | N/C(/c1cccc(Br)c1)=N/OC(CC1CCCCC1)=O |
| InChI | InChI=1S/C15H19BrN2O2/c16-13-8-4-7-12(10-13)15(17)18-20-14(19)9-11-5-2-1-3-6-11/h4,7-8,10-11H,1-3,5-6,9H2,(H2,17,18) |
| InChIK | NVXVRKZYFXLEJH-UHFFFAOYSA-N |
| TotalMolweight | 339.232 |
| Molweight | 339.232 |
| MonoisotopicMass | 338.062989 |
| CLogP | 4.152 |
| CLogS | -4.796 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 232.69 |
| Relative PSA | 0.2141 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -10.097 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.65 |
| 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 | 2 |
| StereoCon |
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1 - [(E)-[amino-(3-bromophenyl)methylidene]amino] 2-cyclohexylacetate | 2 - [(E)-[amino-(3-bromophenyl)methylidene]amino] 2-cyclohexylacetate
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