N-[(Z)-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methylideneamino]-2-hydroxybenzamide
Formula:C18H12N3O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methylideneamino]-2-hydroxybenzamide is a drug-like molecule.
| MolName | N-[(Z)-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methylideneamino]-2-hydroxybenzamide |
| MolecularFormula | C18H12N3O4Cl |
| Smiles | Oc(cccc1)c1C(N/N=C\c(c(Cl)nc1c2)cc1cc1c2OCO1)=O |
| InChI | InChI=1S/C18H12ClN3O4/c19-17-11(8-20-22-18(24)12-3-1-2-4-14(12)23)5-10-6-15-16(26-9-25-15)7-13(10)21-17/h1-8,23H,9H2,(H,22,24) |
| InChIK | JWEXINKPTHQPKF-UHFFFAOYSA-N |
| TotalMolweight | 369.763 |
| Molweight | 369.763 |
| MonoisotopicMass | 369.051634 |
| CLogP | 3.9867 |
| CLogS | -5.341 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 262.38 |
| Relative PSA | 0.30521 |
| PolarSurfaceArea | 93.04 |
| Druglikeness | 4.2397 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57692 |
| 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 | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methylideneamino]-2-hydroxybenzamide | 2 - N-[(Z)-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methylideneamino]-2-hydroxybenzamide
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