4-bromo-N-[(Z)-(2-morpholin-4-yl-1-nitroethylidene)amino]aniline
Formula:C12H15N4O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-bromo-N-[(Z)-(2-morpholin-4-yl-1-nitroethylidene)amino]aniline is a drug-like molecule.
| MolName | 4-bromo-N-[(Z)-(2-morpholin-4-yl-1-nitroethylidene)amino]aniline |
| MolecularFormula | C12H15N4O3Br |
| Smiles | [O-][N+](/C(/CN1CCOCC1)=N\Nc(cc1)ccc1Br)=O |
| InChI | InChI=1S/C12H15BrN4O3/c13-10-1-3-11(4-2-10)14-15-12(17(18)19)9-16-5-7-20-8-6-16/h1-4,14H,5-9H2 |
| InChIK | ANJLKFJOXRIVPM-UHFFFAOYSA-N |
| TotalMolweight | 343.18 |
| Molweight | 343.18 |
| MonoisotopicMass | 342.032752 |
| CLogP | 1.405 |
| CLogS | -2.119 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 225.59 |
| Relative PSA | 0.29673 |
| PolarSurfaceArea | 82.68 |
| Druglikeness | -4.2828 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-bromo-N-[(Z)-(2-morpholin-4-yl-1-nitroethylidene)amino]aniline | 2 - 4-bromo-N-[(Z)-(2-morpholin-4-yl-1-nitroethylidene)amino]aniline
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off