2,4,6-trichloro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]aniline
Formula:C15H10N3O2Cl3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
2,4,6-trichloro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]aniline is not a drug-like molecule.
| MolName | 2,4,6-trichloro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]aniline |
| MolecularFormula | C15H10N3O2Cl3 |
| Smiles | [O-][N+](c1c(/C=C/C=N\Nc(c(Cl)cc(Cl)c2)c2Cl)cccc1)=O |
| InChI | InChI=1S/C15H10Cl3N3O2/c16-11-8-12(17)15(13(18)9-11)20-19-7-3-5-10-4-1-2-6-14(10)21(22)23/h1-9,20H |
| InChIK | FEPQNWQFUFKWBP-UHFFFAOYSA-N |
| TotalMolweight | 370.622 |
| Molweight | 370.622 |
| MonoisotopicMass | 368.983858 |
| CLogP | 5.7556 |
| CLogS | -6.109 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 265.67 |
| Relative PSA | 0.20096 |
| PolarSurfaceArea | 70.21 |
| Druglikeness | -3.0391 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2,4,6-trichloro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]aniline | 2 - 2,4,6-trichloro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]aniline
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off