[(Z)-[(5Z)-5-(carbamothioylhydrazinylidene)pentylidene]amino]thiourea
Formula:C7H14N6S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[(5Z)-5-(carbamothioylhydrazinylidene)pentylidene]amino]thiourea is a drug-like molecule.
| MolName | [(Z)-[(5Z)-5-(carbamothioylhydrazinylidene)pentylidene]amino]thiourea |
| MolecularFormula | C7H14N6S2 |
| Smiles | NC(N/N=C\CCC/C=N\NC(N)=S)=S |
| InChI | InChI=1S/C7H14N6S2/c8-6(14)12-10-4-2-1-3-5-11-13-7(9)15/h4-5H,1-3H2,(H3,8,12,14)(H3,9,13,15) |
| InChIK | LYURNKYZINZCSX-UHFFFAOYSA-N |
| TotalMolweight | 246.362 |
| Molweight | 246.362 |
| MonoisotopicMass | 246.072134 |
| CLogP | -0.0594 |
| CLogS | -3.126 |
| H Acceptors | 6 |
| H Donors | 4 |
| TotalSurfaceArea | 209.68 |
| Relative PSA | 0.63182 |
| PolarSurfaceArea | 165 |
| Druglikeness | -0.805 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.86667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 7 |
| StereoCon |
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1 - [(Z)-[(5Z)-5-(carbamothioylhydrazinylidene)pentylidene]amino]thiourea | 2 - [(Z)-[(5Z)-5-(carbamothioylhydrazinylidene)pentylidene]amino]thiourea
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