[(Z)-[4-[(Z)-(carbamothioylhydrazinylidene)methyl]phenyl]methylideneamino]thiourea
Formula:C10H12N6S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[4-[(Z)-(carbamothioylhydrazinylidene)methyl]phenyl]methylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-[4-[(Z)-(carbamothioylhydrazinylidene)methyl]phenyl]methylideneamino]thiourea |
| MolecularFormula | C10H12N6S2 |
| Smiles | NC(N/N=C\c1ccc(/C=N\NC(N)=S)cc1)=S |
| InChI | InChI=1S/C10H12N6S2/c11-9(17)15-13-5-7-1-2-8(4-3-7)6-14-16-10(12)18/h1-6H,(H3,11,15,17)(H3,12,16,18) |
| InChIK | VTZWNSAFVYMODF-UHFFFAOYSA-N |
| TotalMolweight | 280.379 |
| Molweight | 280.379 |
| MonoisotopicMass | 280.056484 |
| CLogP | 1.4044 |
| CLogS | -4.18 |
| H Acceptors | 6 |
| H Donors | 4 |
| TotalSurfaceArea | 228.16 |
| Relative PSA | 0.58065 |
| PolarSurfaceArea | 165 |
| Druglikeness | 2.2769 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.77778 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 10 |
| StereoCon |
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1 - [(Z)-[4-[(Z)-(carbamothioylhydrazinylidene)methyl]phenyl]methylideneamino]thiourea | 2 - [(Z)-[4-[(Z)-(carbamothioylhydrazinylidene)methyl]phenyl]methylideneamino]thiourea
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