2-[(E)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]guanidine
Formula:C15H15N4OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]guanidine is a drug-like molecule.
| MolName | 2-[(E)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]guanidine |
| MolecularFormula | C15H15N4OBr |
| Smiles | NC(N)=N/N=C/c(cc1)ccc1OCc(cc1)ccc1Br |
| InChI | InChI=1S/C15H15BrN4O/c16-13-5-1-12(2-6-13)10-21-14-7-3-11(4-8-14)9-19-20-15(17)18/h1-9H,10H2,(H4,17,18,20) |
| InChIK | ZNKHNKYKHHQKMO-UHFFFAOYSA-N |
| TotalMolweight | 347.215 |
| Molweight | 347.215 |
| MonoisotopicMass | 346.042922 |
| CLogP | 3.9466 |
| CLogS | -5.165 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 240.18 |
| Relative PSA | 0.26463 |
| PolarSurfaceArea | 85.99 |
| Druglikeness | -0.84022 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.7619 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[(E)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]guanidine | 2 - 2-[(E)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]guanidine
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