[(E)-[amino-(4-bromophenyl)methylidene]amino] 3-cyclohexylpropanoate
Formula:C16H21N2O2Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-[amino-(4-bromophenyl)methylidene]amino] 3-cyclohexylpropanoate is a drug-like molecule.
| MolName | [(E)-[amino-(4-bromophenyl)methylidene]amino] 3-cyclohexylpropanoate |
| MolecularFormula | C16H21N2O2Br |
| Smiles | N/C(/c(cc1)ccc1Br)=N/OC(CCC1CCCCC1)=O |
| InChI | InChI=1S/C16H21BrN2O2/c17-14-9-7-13(8-10-14)16(18)19-21-15(20)11-6-12-4-2-1-3-5-12/h7-10,12H,1-6,11H2,(H2,18,19) |
| InChIK | KWIVCQXMDHEOMI-UHFFFAOYSA-N |
| TotalMolweight | 353.259 |
| Molweight | 353.259 |
| MonoisotopicMass | 352.078639 |
| CLogP | 4.6064 |
| CLogS | -5.066 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 246.45 |
| Relative PSA | 0.20215 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -11.232 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-[amino-(4-bromophenyl)methylidene]amino] 3-cyclohexylpropanoate | 2 - [(E)-[amino-(4-bromophenyl)methylidene]amino] 3-cyclohexylpropanoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off