N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]quinolin-2-amine
Formula:C16H11N4O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]quinolin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]quinolin-2-amine |
| MolecularFormula | C16H11N4O2Cl |
| Smiles | [O-][N+](c(cc(/C=N\Nc1nc2ccccc2cc1)cc1)c1Cl)=O |
| InChI | InChI=1S/C16H11ClN4O2/c17-13-7-5-11(9-15(13)21(22)23)10-18-20-16-8-6-12-3-1-2-4-14(12)19-16/h1-10H,(H,19,20) |
| InChIK | SNIBBPYJMPASGI-UHFFFAOYSA-N |
| TotalMolweight | 326.742 |
| Molweight | 326.742 |
| MonoisotopicMass | 326.057053 |
| CLogP | 5.0223 |
| CLogS | -5.576 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 241.69 |
| Relative PSA | 0.26629 |
| PolarSurfaceArea | 83.1 |
| Druglikeness | -3.1042 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]quinolin-2-amine | 2 - N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]quinolin-2-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off