[(E)-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-ylideneamino]urea
Formula:C11H17N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-ylideneamino]urea is a drug-like molecule.
| MolName | [(E)-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-ylideneamino]urea |
| MolecularFormula | C11H17N3O |
| Smiles | NC(N/N=C1/C=C(CCCC2)C2CC1)=O |
| InChI | InChI=1S/C11H17N3O/c12-11(15)14-13-10-6-5-8-3-1-2-4-9(8)7-10/h7-8H,1-6H2,(H3,12,14,15)/t8-/m1/s1 |
| InChIK | UJTKFUKIJCHXPZ-MRVPVSSYSA-N |
| TotalMolweight | 207.276 |
| Molweight | 207.276 |
| MonoisotopicMass | 207.137162 |
| CLogP | 1.7109 |
| CLogS | -3.358 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 166.97 |
| Relative PSA | 0.30712 |
| PolarSurfaceArea | 67.48 |
| Druglikeness | -1.4083 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Sp3Atoms | 7 |
| Amides | 1 |
| StereoCon | racemate |
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1 - [(E)-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-ylideneamino]urea | 2 - [(E)-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-ylideneamino]urea
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