[(E)-2,3-dihydrobenzo[f]thiochromen-1-ylideneamino]thiourea
Formula:C14H13N3S2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-2,3-dihydrobenzo[f]thiochromen-1-ylideneamino]thiourea is a drug-like molecule.
| MolName | [(E)-2,3-dihydrobenzo[f]thiochromen-1-ylideneamino]thiourea |
| MolecularFormula | C14H13N3S2 |
| Smiles | NC(N/N=C1/c(c2ccccc2cc2)c2SCC1)=S |
| InChI | InChI=1S/C14H13N3S2/c15-14(18)17-16-11-7-8-19-12-6-5-9-3-1-2-4-10(9)13(11)12/h1-6H,7-8H2,(H3,15,17,18) |
| InChIK | OIQDTDZIZWPLBP-UHFFFAOYSA-N |
| TotalMolweight | 287.41 |
| Molweight | 287.41 |
| MonoisotopicMass | 287.055087 |
| CLogP | 2.4318 |
| CLogS | -5.76 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 215.03 |
| Relative PSA | 0.38939 |
| PolarSurfaceArea | 107.8 |
| Druglikeness | 1.7432 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.52632 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 4 |
| StereoCon |
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