1-[(E)-[amino(pyrazin-2-yl)methylidene]amino]-3-phenylurea
Formula:C12H12N6O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(E)-[amino(pyrazin-2-yl)methylidene]amino]-3-phenylurea is a drug-like molecule.
| MolName | 1-[(E)-[amino(pyrazin-2-yl)methylidene]amino]-3-phenylurea |
| MolecularFormula | C12H12N6O |
| Smiles | N/C(/c1nccnc1)=N/NC(Nc1ccccc1)=O |
| InChI | InChI=1S/C12H12N6O/c13-11(10-8-14-6-7-15-10)17-18-12(19)16-9-4-2-1-3-5-9/h1-8H,(H2,13,17)(H2,16,18,19) |
| InChIK | VMKLZLDWYUWIFO-UHFFFAOYSA-N |
| TotalMolweight | 256.268 |
| Molweight | 256.268 |
| MonoisotopicMass | 256.107259 |
| CLogP | 0.4017 |
| CLogS | -2.436 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 202.7 |
| Relative PSA | 0.41776 |
| PolarSurfaceArea | 105.29 |
| Druglikeness | 2.3971 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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