2,4-dinitro-N-[(Z)-quinolin-2-ylmethylideneamino]aniline
Formula:C16H11N5O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,4-dinitro-N-[(Z)-quinolin-2-ylmethylideneamino]aniline is a drug-like molecule.
| MolName | 2,4-dinitro-N-[(Z)-quinolin-2-ylmethylideneamino]aniline |
| MolecularFormula | C16H11N5O4 |
| Smiles | [O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C\c1nc2ccccc2cc1)=O |
| InChI | InChI=1S/C16H11N5O4/c22-20(23)13-7-8-15(16(9-13)21(24)25)19-17-10-12-6-5-11-3-1-2-4-14(11)18-12/h1-10,19H |
| InChIK | DKQUYADERJQLPB-UHFFFAOYSA-N |
| TotalMolweight | 337.294 |
| Molweight | 337.294 |
| MonoisotopicMass | 337.081105 |
| CLogP | 3.3677 |
| CLogS | -4.799 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 249.94 |
| Relative PSA | 0.37921 |
| PolarSurfaceArea | 128.92 |
| Druglikeness | -3.1321 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 2,4-dinitro-N-[(Z)-quinolin-2-ylmethylideneamino]aniline | 2 - 2,4-dinitro-N-[(Z)-quinolin-2-ylmethylideneamino]aniline
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off