N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-(4-nitrophenoxy)acetamide
Formula:C18H13N4O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-(4-nitrophenoxy)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-(4-nitrophenoxy)acetamide |
| MolecularFormula | C18H13N4O4Cl |
| Smiles | [O-][N+](c(cc1)ccc1OCC(N/N=C\c1cc2ccccc2nc1Cl)=O)=O |
| InChI | InChI=1S/C18H13ClN4O4/c19-18-13(9-12-3-1-2-4-16(12)21-18)10-20-22-17(24)11-27-15-7-5-14(6-8-15)23(25)26/h1-10H,11H2,(H,22,24) |
| InChIK | UEMPIQWDPDCWCI-UHFFFAOYSA-N |
| TotalMolweight | 384.778 |
| Molweight | 384.778 |
| MonoisotopicMass | 384.062533 |
| CLogP | 2.8743 |
| CLogS | -5.166 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 283.2 |
| Relative PSA | 0.30862 |
| PolarSurfaceArea | 109.4 |
| Druglikeness | -0.88926 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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