2-[(E)-(3-oxo-1,3-diphenylpropylidene)amino]guanidine
Formula:C16H16N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-(3-oxo-1,3-diphenylpropylidene)amino]guanidine is a drug-like molecule.
| MolName | 2-[(E)-(3-oxo-1,3-diphenylpropylidene)amino]guanidine |
| MolecularFormula | C16H16N4O |
| Smiles | NC(N)=N/N=C(\CC(c1ccccc1)=O)/c1ccccc1 |
| InChI | InChI=1S/C16H16N4O/c17-16(18)20-19-14(12-7-3-1-4-8-12)11-15(21)13-9-5-2-6-10-13/h1-10H,11H2,(H4,17,18,20) |
| InChIK | HGVQBLOLUXEAMW-UHFFFAOYSA-N |
| TotalMolweight | 280.33 |
| Molweight | 280.33 |
| MonoisotopicMass | 280.132411 |
| CLogP | 2.8192 |
| CLogS | -4.936 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 227.51 |
| Relative PSA | 0.29273 |
| PolarSurfaceArea | 93.83 |
| Druglikeness | 0.88774 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[(E)-(3-oxo-1,3-diphenylpropylidene)amino]guanidine | 2 - 2-[(E)-(3-oxo-1,3-diphenylpropylidene)amino]guanidine
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