3-bromo-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide
Formula:C17H15N2OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-bromo-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide is a drug-like molecule.
| MolName | 3-bromo-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide |
| MolecularFormula | C17H15N2OBr |
| Smiles | O=C(c1cccc(Br)c1)N/N=C(/CCC1)\c2c1cccc2 |
| InChI | InChI=1S/C17H15BrN2O/c18-14-8-3-7-13(11-14)17(21)20-19-16-10-4-6-12-5-1-2-9-15(12)16/h1-3,5,7-9,11H,4,6,10H2,(H,20,21) |
| InChIK | ARWVDDQKJOWTCP-UHFFFAOYSA-N |
| TotalMolweight | 343.223 |
| Molweight | 343.223 |
| MonoisotopicMass | 342.036774 |
| CLogP | 4.5995 |
| CLogS | -5.504 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 231.61 |
| Relative PSA | 0.15548 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | -1.2974 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| StereoCon |
Click to Load Molecule:
1 - 3-bromo-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide | 2 - 3-bromo-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off