2-[(Z)-(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]guanidine
Formula:C15H14N4OBr2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-[(Z)-(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]guanidine is a drug-like molecule.
| MolName | 2-[(Z)-(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]guanidine |
| MolecularFormula | C15H14N4OBr2 |
| Smiles | NC(N)=N/N=C\c1cc(Br)cc(Br)c1OCc1ccccc1 |
| InChI | InChI=1S/C15H14Br2N4O/c16-12-6-11(8-20-21-15(18)19)14(13(17)7-12)22-9-10-4-2-1-3-5-10/h1-8H,9H2,(H4,18,19,21) |
| InChIK | QUKJXNIORWLQAD-UHFFFAOYSA-N |
| TotalMolweight | 426.111 |
| Molweight | 426.111 |
| MonoisotopicMass | 423.953433 |
| CLogP | 4.6718 |
| CLogS | -5.999 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 258.81 |
| Relative PSA | 0.24559 |
| PolarSurfaceArea | 85.99 |
| Druglikeness | -0.84022 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[(Z)-(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]guanidine | 2 - 2-[(Z)-(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]guanidine
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