[(E)-3,4,5,6,7,8-hexahydro-2H-anthracen-1-ylideneamino]urea
Formula:C15H19N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-3,4,5,6,7,8-hexahydro-2H-anthracen-1-ylideneamino]urea is a drug-like molecule.
| MolName | [(E)-3,4,5,6,7,8-hexahydro-2H-anthracen-1-ylideneamino]urea |
| MolecularFormula | C15H19N3O |
| Smiles | NC(N/N=C(\CCC1)/c2c1cc(CCCC1)c1c2)=O |
| InChI | InChI=1S/C15H19N3O/c16-15(19)18-17-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14/h8-9H,1-7H2,(H3,16,18,19) |
| InChIK | PLUINWNAQHATMS-UHFFFAOYSA-N |
| TotalMolweight | 257.336 |
| Molweight | 257.336 |
| MonoisotopicMass | 257.152812 |
| CLogP | 2.9648 |
| CLogS | -4.855 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 203.28 |
| Relative PSA | 0.25226 |
| PolarSurfaceArea | 67.48 |
| Druglikeness | -1.9771 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Amides | 1 |
| StereoCon |
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1 - [(E)-3,4,5,6,7,8-hexahydro-2H-anthracen-1-ylideneamino]urea | 2 - [(E)-3,4,5,6,7,8-hexahydro-2H-anthracen-1-ylideneamino]urea
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