4-bromo-N-[(E)-(2-chloroquinolin-3-yl)methylideneamino]benzamide
Formula:C17H11N3OBrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-bromo-N-[(E)-(2-chloroquinolin-3-yl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-bromo-N-[(E)-(2-chloroquinolin-3-yl)methylideneamino]benzamide |
| MolecularFormula | C17H11N3OBrCl |
| Smiles | O=C(c(cc1)ccc1Br)N/N=C/c1cc2ccccc2nc1Cl |
| InChI | InChI=1S/C17H11BrClN3O/c18-14-7-5-11(6-8-14)17(23)22-20-10-13-9-12-3-1-2-4-15(12)21-16(13)19/h1-10H,(H,22,23) |
| InChIK | DWTRCDDHPRGOOY-UHFFFAOYSA-N |
| TotalMolweight | 388.651 |
| Molweight | 388.651 |
| MonoisotopicMass | 386.9774 |
| CLogP | 4.9462 |
| CLogS | -5.76 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 254.4 |
| Relative PSA | 0.18467 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | 2.6815 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 4-bromo-N-[(E)-(2-chloroquinolin-3-yl)methylideneamino]benzamide | 2 - 4-bromo-N-[(E)-(2-chloroquinolin-3-yl)methylideneamino]benzamide
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