[(Z)-(6-chloro-2,3-dihydrothiochromen-4-ylidene)amino]thiourea
Formula:C10H10N3ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-(6-chloro-2,3-dihydrothiochromen-4-ylidene)amino]thiourea is a drug-like molecule.
| MolName | [(Z)-(6-chloro-2,3-dihydrothiochromen-4-ylidene)amino]thiourea |
| MolecularFormula | C10H10N3ClS2 |
| Smiles | NC(N/N=C1\c(cc(cc2)Cl)c2SCC1)=S |
| InChI | InChI=1S/C10H10ClN3S2/c11-6-1-2-9-7(5-6)8(3-4-16-9)13-14-10(12)15/h1-2,5H,3-4H2,(H3,12,14,15) |
| InChIK | ZSKIHXKZEHXVBC-UHFFFAOYSA-N |
| TotalMolweight | 271.795 |
| Molweight | 271.795 |
| MonoisotopicMass | 271.000464 |
| CLogP | 1.8434 |
| CLogS | -4.89 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 195.85 |
| Relative PSA | 0.42752 |
| PolarSurfaceArea | 107.8 |
| Druglikeness | 1.8086 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| StereoCon |
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1 - [(Z)-(6-chloro-2,3-dihydrothiochromen-4-ylidene)amino]thiourea | 2 - [(Z)-(6-chloro-2,3-dihydrothiochromen-4-ylidene)amino]thiourea
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