N-[(Z)-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl)methylideneamino]-4-nitrobenzamide
Formula:C19H13N4O5Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl)methylideneamino]-4-nitrobenzamide is a drug-like molecule.
| MolName | N-[(Z)-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl)methylideneamino]-4-nitrobenzamide |
| MolecularFormula | C19H13N4O5Cl |
| Smiles | [O-][N+](c(cc1)ccc1C(N/N=C\c(c(Cl)nc1c2)cc1cc1c2OCCO1)=O)=O |
| InChI | InChI=1S/C19H13ClN4O5/c20-18-13(7-12-8-16-17(9-15(12)22-18)29-6-5-28-16)10-21-23-19(25)11-1-3-14(4-2-11)24(26)27/h1-4,7-10H,5-6H2,(H,23,25) |
| InChIK | AYAGFJJDOCUYBC-UHFFFAOYSA-N |
| TotalMolweight | 412.788 |
| Molweight | 412.788 |
| MonoisotopicMass | 412.057448 |
| CLogP | 3.2782 |
| CLogS | -5.568 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 293.46 |
| Relative PSA | 0.3319 |
| PolarSurfaceArea | 118.63 |
| Druglikeness | -7.9522 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl)methylideneamino]-4-nitrobenzamide | 2 - N-[(Z)-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl)methylideneamino]-4-nitrobenzamide
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