4-chloro-N-[(Z)-2-[1-(3,4-dichlorophenyl)tetrazol-5-yl]ethylideneamino]aniline
Formula:C15H11N6Cl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
4-chloro-N-[(Z)-2-[1-(3,4-dichlorophenyl)tetrazol-5-yl]ethylideneamino]aniline is not a drug-like molecule.
| MolName | 4-chloro-N-[(Z)-2-[1-(3,4-dichlorophenyl)tetrazol-5-yl]ethylideneamino]aniline |
| MolecularFormula | C15H11N6Cl3 |
| Smiles | Clc(cc1)ccc1N/N=C\Cc1nnnn1-c(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C15H11Cl3N6/c16-10-1-3-11(4-2-10)20-19-8-7-15-21-22-23-24(15)12-5-6-13(17)14(18)9-12/h1-6,8-9,20H,7H2 |
| InChIK | COTRNMTZBFUEPT-UHFFFAOYSA-N |
| TotalMolweight | 381.653 |
| Molweight | 381.653 |
| MonoisotopicMass | 380.011075 |
| CLogP | 5.1342 |
| CLogS | -4.827 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 274.5 |
| Relative PSA | 0.2286 |
| PolarSurfaceArea | 67.99 |
| Druglikeness | 1.7815 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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