3-chloro-4-fluoro-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethylideneamino]aniline
Formula:C15H12N6ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-chloro-4-fluoro-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethylideneamino]aniline is a drug-like molecule.
| MolName | 3-chloro-4-fluoro-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethylideneamino]aniline |
| MolecularFormula | C15H12N6ClF |
| Smiles | Fc(ccc(N/N=C\Cc1nnnn1-c1ccccc1)c1)c1Cl |
| InChI | InChI=1S/C15H12ClFN6/c16-13-10-11(6-7-14(13)17)19-18-9-8-15-20-21-22-23(15)12-4-2-1-3-5-12/h1-7,9-10,19H,8H2 |
| InChIK | XCHNVQODZHGHMM-UHFFFAOYSA-N |
| TotalMolweight | 330.753 |
| Molweight | 330.753 |
| MonoisotopicMass | 330.079599 |
| CLogP | 4.023 |
| CLogS | -3.669 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 250.01 |
| Relative PSA | 0.25099 |
| PolarSurfaceArea | 67.99 |
| Druglikeness | 0.44147 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| 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 | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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