N-[(Z)-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl)methylideneamino]-2-hydroxybenzamide
Formula:C19H14N3O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl)methylideneamino]-2-hydroxybenzamide is a drug-like molecule.
| MolName | N-[(Z)-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl)methylideneamino]-2-hydroxybenzamide |
| MolecularFormula | C19H14N3O4Cl |
| Smiles | Oc(cccc1)c1C(N/N=C\c(c(Cl)nc1c2)cc1cc1c2OCCO1)=O |
| InChI | InChI=1S/C19H14ClN3O4/c20-18-12(10-21-23-19(25)13-3-1-2-4-15(13)24)7-11-8-16-17(9-14(11)22-18)27-6-5-26-16/h1-4,7-10,24H,5-6H2,(H,23,25) |
| InChIK | TVMSRCYWIQWVQL-UHFFFAOYSA-N |
| TotalMolweight | 383.79 |
| Molweight | 383.79 |
| MonoisotopicMass | 383.067284 |
| CLogP | 3.8541 |
| CLogS | -4.812 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 276.14 |
| Relative PSA | 0.29 |
| PolarSurfaceArea | 93.04 |
| Druglikeness | -2.8408 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 5 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl)methylideneamino]-2-hydroxybenzamide | 2 - N-[(Z)-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl)methylideneamino]-2-hydroxybenzamide
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