[(Z)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylideneamino]urea
Formula:C13H16N4O
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
[(Z)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylideneamino]urea is a drug-like molecule.
| MolName | [(Z)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylideneamino]urea |
| MolecularFormula | C13H16N4O |
| Smiles | NC(N/N=C1\c(cccc2CCC3)c2N3CC1)=O |
| InChI | InChI=1S/C13H16N4O/c14-13(18)16-15-11-6-8-17-7-2-4-9-3-1-5-10(11)12(9)17/h1,3,5H,2,4,6-8H2,(H3,14,16,18) |
| InChIK | UVGFNXHHNWNTKR-UHFFFAOYSA-N |
| TotalMolweight | 244.297 |
| Molweight | 244.297 |
| MonoisotopicMass | 244.132411 |
| CLogP | 1.615 |
| CLogS | -3.945 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 186.06 |
| Relative PSA | 0.29469 |
| PolarSurfaceArea | 70.72 |
| Druglikeness | 4.5138 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - [(Z)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylideneamino]urea | 2 - [(Z)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylideneamino]urea
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