N-[(Z)-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methylideneamino]-4-nitrobenzamide
Formula:C18H11N4O5Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methylideneamino]-4-nitrobenzamide is a drug-like molecule.
| MolName | N-[(Z)-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methylideneamino]-4-nitrobenzamide |
| MolecularFormula | C18H11N4O5Cl |
| Smiles | [O-][N+](c(cc1)ccc1C(N/N=C\c(c(Cl)nc1c2)cc1cc1c2OCO1)=O)=O |
| InChI | InChI=1S/C18H11ClN4O5/c19-17-12(5-11-6-15-16(28-9-27-15)7-14(11)21-17)8-20-22-18(24)10-1-3-13(4-2-10)23(25)26/h1-8H,9H2,(H,22,24) |
| InChIK | YOHLDOQDYGQVRJ-UHFFFAOYSA-N |
| TotalMolweight | 398.761 |
| Molweight | 398.761 |
| MonoisotopicMass | 398.041798 |
| CLogP | 3.4108 |
| CLogS | -6.097 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 279.7 |
| Relative PSA | 0.34823 |
| PolarSurfaceArea | 118.63 |
| Druglikeness | -0.88476 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methylideneamino]-4-nitrobenzamide | 2 - N-[(Z)-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methylideneamino]-4-nitrobenzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off