1-[(E)-[amino(pyridin-2-yl)methylidene]amino]-3-phenylurea
Formula:C13H13N5O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(E)-[amino(pyridin-2-yl)methylidene]amino]-3-phenylurea is a drug-like molecule.
| MolName | 1-[(E)-[amino(pyridin-2-yl)methylidene]amino]-3-phenylurea |
| MolecularFormula | C13H13N5O |
| Smiles | N/C(/c1ncccc1)=N/NC(Nc1ccccc1)=O |
| InChI | InChI=1S/C13H13N5O/c14-12(11-8-4-5-9-15-11)17-18-13(19)16-10-6-2-1-3-7-10/h1-9H,(H2,14,17)(H2,16,18,19) |
| InChIK | QKWPOOOLYRSMDG-UHFFFAOYSA-N |
| TotalMolweight | 255.28 |
| Molweight | 255.28 |
| MonoisotopicMass | 255.11201 |
| CLogP | 1.4026 |
| CLogS | -3.231 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 203.94 |
| Relative PSA | 0.36143 |
| PolarSurfaceArea | 92.4 |
| Druglikeness | 2.3971 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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