3,4-dichloro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]aniline
Formula:C15H11N3O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
3,4-dichloro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]aniline is not a drug-like molecule.
| MolName | 3,4-dichloro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]aniline |
| MolecularFormula | C15H11N3O2Cl2 |
| Smiles | [O-][N+](c1c(/C=C/C=N\Nc(cc2)cc(Cl)c2Cl)cccc1)=O |
| InChI | InChI=1S/C15H11Cl2N3O2/c16-13-8-7-12(10-14(13)17)19-18-9-3-5-11-4-1-2-6-15(11)20(21)22/h1-10,19H |
| InChIK | KWRAHOINHDVONI-UHFFFAOYSA-N |
| TotalMolweight | 336.177 |
| Molweight | 336.177 |
| MonoisotopicMass | 335.022831 |
| CLogP | 5.1496 |
| CLogS | -5.373 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 250.25 |
| Relative PSA | 0.21335 |
| PolarSurfaceArea | 70.21 |
| Druglikeness | -3.0391 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 3,4-dichloro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]aniline | 2 - 3,4-dichloro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]aniline
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