2-[(Z)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]guanidine
Formula:C10H11N4Br
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
2-[(Z)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]guanidine is a drug-like molecule.
| MolName | 2-[(Z)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]guanidine |
| MolecularFormula | C10H11N4Br |
| Smiles | NC(N)=N/N=C\C(\Br)=C/c1ccccc1 |
| InChI | InChI=1S/C10H11BrN4/c11-9(7-14-15-10(12)13)6-8-4-2-1-3-5-8/h1-7H,(H4,12,13,15) |
| InChIK | KRIUQXTZAHCMAP-UHFFFAOYSA-N |
| TotalMolweight | 267.129 |
| Molweight | 267.129 |
| MonoisotopicMass | 266.016707 |
| CLogP | 2.4842 |
| CLogS | -4.115 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 181.37 |
| Relative PSA | 0.29531 |
| PolarSurfaceArea | 76.76 |
| Druglikeness | -3.4992 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.73333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Symmetricatoms | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[(Z)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]guanidine | 2 - 2-[(Z)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]guanidine
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