3,5-dichloro-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethylideneamino]aniline
Formula:C15H12N6Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3,5-dichloro-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethylideneamino]aniline is a drug-like molecule.
| MolName | 3,5-dichloro-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethylideneamino]aniline |
| MolecularFormula | C15H12N6Cl2 |
| Smiles | Clc1cc(N/N=C\Cc2nnnn2-c2ccccc2)cc(Cl)c1 |
| InChI | InChI=1S/C15H12Cl2N6/c16-11-8-12(17)10-13(9-11)19-18-7-6-15-20-21-22-23(15)14-4-2-1-3-5-14/h1-5,7-10,19H,6H2 |
| InChIK | INDFPMDBDULCGE-UHFFFAOYSA-N |
| TotalMolweight | 347.208 |
| Molweight | 347.208 |
| MonoisotopicMass | 346.050048 |
| CLogP | 4.5282 |
| CLogS | -4.091 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 259.08 |
| Relative PSA | 0.2422 |
| PolarSurfaceArea | 67.99 |
| Druglikeness | 1.7815 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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