[(E)-2,3-dihydroinden-1-ylideneamino]urea
Formula:C10H11N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-2,3-dihydroinden-1-ylideneamino]urea is a drug-like molecule.
| MolName | [(E)-2,3-dihydroinden-1-ylideneamino]urea |
| MolecularFormula | C10H11N3O |
| Smiles | NC(N/N=C(\CC1)/c2c1cccc2)=O |
| InChI | InChI=1S/C10H11N3O/c11-10(14)13-12-9-6-5-7-3-1-2-4-8(7)9/h1-4H,5-6H2,(H3,11,13,14) |
| InChIK | SRQKUXBHHIMHRI-UHFFFAOYSA-N |
| TotalMolweight | 189.217 |
| Molweight | 189.217 |
| MonoisotopicMass | 189.090212 |
| CLogP | 1.466 |
| CLogS | -3.493 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 147.98 |
| Relative PSA | 0.34653 |
| PolarSurfaceArea | 67.48 |
| Druglikeness | 2.2329 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Amides | 1 |
| StereoCon |
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