1-[(Z)-[3,5-dichloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine
Formula:C15H10N6OCl4
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
1-[(Z)-[3,5-dichloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine is a drug-like molecule.
| MolName | 1-[(Z)-[3,5-dichloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine |
| MolecularFormula | C15H10N6OCl4 |
| Smiles | Nc1nnnn1/N=C\c1cc(Cl)cc(Cl)c1OCc(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C15H10Cl4N6O/c16-10-2-1-8(12(18)4-10)7-26-14-9(3-11(17)5-13(14)19)6-21-25-15(20)22-23-24-25/h1-6H,7H2,(H2,20,22,24) |
| InChIK | NIQVUGRQBIXLRJ-UHFFFAOYSA-N |
| TotalMolweight | 432.097 |
| Molweight | 432.097 |
| MonoisotopicMass | 429.967017 |
| CLogP | 4.9986 |
| CLogS | -8.072 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 296.98 |
| Relative PSA | 0.2578 |
| PolarSurfaceArea | 91.21 |
| Druglikeness | 0.84074 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| 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-dichloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine | 2 - 1-[(Z)-[3,5-dichloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine
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