1-[(Z)-[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine
Formula:C15H10N6OBr2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
1-[(Z)-[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine is not a drug-like molecule.
| MolName | 1-[(Z)-[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine |
| MolecularFormula | C15H10N6OBr2Cl2 |
| Smiles | Nc1nnnn1/N=C\c1cc(Br)cc(Br)c1OCc(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C15H10Br2Cl2N6O/c16-10-3-9(6-21-25-15(20)22-23-24-25)14(12(17)4-10)26-7-8-1-2-11(18)5-13(8)19/h1-6H,7H2,(H2,20,22,24) |
| InChIK | ISCLZETYOOCWGG-UHFFFAOYSA-N |
| TotalMolweight | 520.999 |
| Molweight | 520.999 |
| MonoisotopicMass | 517.865985 |
| CLogP | 5.237 |
| CLogS | -8.268 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 303.4 |
| Relative PSA | 0.25234 |
| PolarSurfaceArea | 91.21 |
| Druglikeness | -0.94926 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - 1-[(Z)-[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine | 2 - 1-[(Z)-[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine
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