2-[(Z)-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]guanidine
Formula:C15H13N4OBrCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]guanidine is not a drug-like molecule.
| MolName | 2-[(Z)-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]guanidine |
| MolecularFormula | C15H13N4OBrCl2 |
| Smiles | NC(N)=N/N=C\c(cc1)cc(Br)c1OCc(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C15H13BrCl2N4O/c16-12-5-9(7-21-22-15(19)20)1-4-14(12)23-8-10-2-3-11(17)6-13(10)18/h1-7H,8H2,(H4,19,20,22) |
| InChIK | SHCUJEPVVBZGSR-UHFFFAOYSA-N |
| TotalMolweight | 416.105 |
| Molweight | 416.105 |
| MonoisotopicMass | 413.964976 |
| CLogP | 5.1586 |
| CLogS | -6.637 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 271.02 |
| Relative PSA | 0.23452 |
| PolarSurfaceArea | 85.99 |
| Druglikeness | -0.775 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[(Z)-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]guanidine | 2 - 2-[(Z)-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]guanidine
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