[(Z)-(2-cyanocyclohexylidene)amino]urea
Formula:C8H12N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-(2-cyanocyclohexylidene)amino]urea is a drug-like molecule.
| MolName | [(Z)-(2-cyanocyclohexylidene)amino]urea |
| MolecularFormula | C8H12N4O |
| Smiles | NC(N/N=C(/CCCC1)\C1C#N)=O |
| InChI | InChI=1S/C8H12N4O/c9-5-6-3-1-2-4-7(6)11-12-8(10)13/h6H,1-4H2,(H3,10,12,13)/t6-/m1/s1 |
| InChIK | QJUUFVXZXSMMPF-ZCFIWIBFSA-N |
| TotalMolweight | 180.21 |
| Molweight | 180.21 |
| MonoisotopicMass | 180.101111 |
| CLogP | 0.4009 |
| CLogS | -2.984 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 149.95 |
| Relative PSA | 0.43241 |
| PolarSurfaceArea | 91.27 |
| Druglikeness | -5.8435 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 5 |
| Amides | 1 |
| StereoCon | racemate |
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