N-[(Z)-1-chloro-2-(2,4-dinitrophenyl)ethenyl]pyridin-2-amine
Formula:C13H9N4O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1-chloro-2-(2,4-dinitrophenyl)ethenyl]pyridin-2-amine is a drug-like molecule.
| MolName | N-[(Z)-1-chloro-2-(2,4-dinitrophenyl)ethenyl]pyridin-2-amine |
| MolecularFormula | C13H9N4O4Cl |
| Smiles | [O-][N+](c1cc([N+]([O-])=O)c(/C=C(/Nc2ncccc2)\Cl)cc1)=O |
| InChI | InChI=1S/C13H9ClN4O4/c14-12(16-13-3-1-2-6-15-13)7-9-4-5-10(17(19)20)8-11(9)18(21)22/h1-8H,(H,15,16) |
| InChIK | NVBDCHLEDMIMPL-UHFFFAOYSA-N |
| TotalMolweight | 320.691 |
| Molweight | 320.691 |
| MonoisotopicMass | 320.031233 |
| CLogP | 1.4277 |
| CLogS | -5.105 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 230.71 |
| Relative PSA | 0.36093 |
| PolarSurfaceArea | 116.56 |
| Druglikeness | -5.3565 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-1-chloro-2-(2,4-dinitrophenyl)ethenyl]pyridin-2-amine | 2 - N-[(Z)-1-chloro-2-(2,4-dinitrophenyl)ethenyl]pyridin-2-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off