4-bromo-N-[(Z)-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methylideneamino]benzamide
Formula:C18H11N3O3BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-bromo-N-[(Z)-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methylideneamino]benzamide is not a drug-like molecule.
| MolName | 4-bromo-N-[(Z)-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methylideneamino]benzamide |
| MolecularFormula | C18H11N3O3BrCl |
| Smiles | O=C(c(cc1)ccc1Br)N/N=C\c(c(Cl)nc1c2)cc1cc1c2OCO1 |
| InChI | InChI=1S/C18H11BrClN3O3/c19-13-3-1-10(2-4-13)18(24)23-21-8-12-5-11-6-15-16(26-9-25-15)7-14(11)22-17(12)20/h1-8H,9H2,(H,23,24) |
| InChIK | WCOKFLTWFDRSSW-UHFFFAOYSA-N |
| TotalMolweight | 432.66 |
| Molweight | 432.66 |
| MonoisotopicMass | 430.96723 |
| CLogP | 5.0576 |
| CLogS | -6.471 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 274.66 |
| Relative PSA | 0.24387 |
| PolarSurfaceArea | 72.81 |
| Druglikeness | 2.4705 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 4-bromo-N-[(Z)-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methylideneamino]benzamide | 2 - 4-bromo-N-[(Z)-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methylideneamino]benzamide
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