[(E)-[amino-(4-bromophenyl)methylidene]amino] cyclohexanecarboxylate
Formula:C14H17N2O2Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-[amino-(4-bromophenyl)methylidene]amino] cyclohexanecarboxylate is a drug-like molecule.
| MolName | [(E)-[amino-(4-bromophenyl)methylidene]amino] cyclohexanecarboxylate |
| MolecularFormula | C14H17N2O2Br |
| Smiles | N/C(/c(cc1)ccc1Br)=N/OC(C1CCCCC1)=O |
| InChI | InChI=1S/C14H17BrN2O2/c15-12-8-6-10(7-9-12)13(16)17-19-14(18)11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,16,17) |
| InChIK | GALDAVQKPRIRIY-UHFFFAOYSA-N |
| TotalMolweight | 325.205 |
| Molweight | 325.205 |
| MonoisotopicMass | 324.047339 |
| CLogP | 3.6976 |
| CLogS | -4.526 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 218.93 |
| Relative PSA | 0.22756 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -8.2999 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-[amino-(4-bromophenyl)methylidene]amino] cyclohexanecarboxylate | 2 - [(E)-[amino-(4-bromophenyl)methylidene]amino] cyclohexanecarboxylate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off