2-[(Z)-[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]guanidine
Formula:C19H17N4OBr
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
2-[(Z)-[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]guanidine is not a drug-like molecule.
| MolName | 2-[(Z)-[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]guanidine |
| MolecularFormula | C19H17N4OBr |
| Smiles | NC(N)=N/N=C\c(c1ccccc1cc1)c1OCc(cc1)ccc1Br |
| InChI | InChI=1S/C19H17BrN4O/c20-15-8-5-13(6-9-15)12-25-18-10-7-14-3-1-2-4-16(14)17(18)11-23-24-19(21)22/h1-11H,12H2,(H4,21,22,24) |
| InChIK | CQMJNEARCZZQGM-UHFFFAOYSA-N |
| TotalMolweight | 397.275 |
| Molweight | 397.275 |
| MonoisotopicMass | 396.058572 |
| CLogP | 5.141 |
| CLogS | -6.771 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 274.78 |
| Relative PSA | 0.23131 |
| PolarSurfaceArea | 85.99 |
| Druglikeness | -0.84022 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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