[(E)-[amino-(4-iodophenyl)methylidene]amino] 2-cyclohexylacetate
Formula:C15H19N2O2I
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-[amino-(4-iodophenyl)methylidene]amino] 2-cyclohexylacetate is a drug-like molecule.
| MolName | [(E)-[amino-(4-iodophenyl)methylidene]amino] 2-cyclohexylacetate |
| MolecularFormula | C15H19N2O2I |
| Smiles | N/C(/c(cc1)ccc1I)=N/OC(CC1CCCCC1)=O |
| InChI | InChI=1S/C15H19IN2O2/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 | OQEKTVNRMBUFKY-UHFFFAOYSA-N |
| TotalMolweight | 386.228 |
| Molweight | 386.228 |
| MonoisotopicMass | 386.049126 |
| CLogP | 3.8639 |
| CLogS | -4.978 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 240.34 |
| Relative PSA | 0.20729 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -7.7548 |
| 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 |
Click to Load Molecule:
1 - [(E)-[amino-(4-iodophenyl)methylidene]amino] 2-cyclohexylacetate | 2 - [(E)-[amino-(4-iodophenyl)methylidene]amino] 2-cyclohexylacetate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off