[(Z)-cyclohex-2-en-1-ylideneamino]thiourea
Formula:C7H11N3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-cyclohex-2-en-1-ylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-cyclohex-2-en-1-ylideneamino]thiourea |
| MolecularFormula | C7H11N3S |
| Smiles | NC(N/N=C1\C=CCCC1)=S |
| InChI | InChI=1S/C7H11N3S/c8-7(11)10-9-6-4-2-1-3-5-6/h2,4H,1,3,5H2,(H3,8,10,11) |
| InChIK | DCSDZQBAHAJINH-UHFFFAOYSA-N |
| TotalMolweight | 169.251 |
| Molweight | 169.251 |
| MonoisotopicMass | 169.067367 |
| CLogP | 1.0073 |
| CLogS | -2.532 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 143.44 |
| Relative PSA | 0.4618 |
| PolarSurfaceArea | 82.5 |
| Druglikeness | -5.5521 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 11 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 4 |
| StereoCon |
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