1-(furan-2-ylmethyl)-3-[(E)-1H-isothiochromen-4-ylideneamino]thiourea
Formula:C15H15N3OS2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
1-(furan-2-ylmethyl)-3-[(E)-1H-isothiochromen-4-ylideneamino]thiourea is a drug-like molecule.
| MolName | 1-(furan-2-ylmethyl)-3-[(E)-1H-isothiochromen-4-ylideneamino]thiourea |
| MolecularFormula | C15H15N3OS2 |
| Smiles | S=C(NCc1ccco1)N/N=C(/CSC1)\c2c1cccc2 |
| InChI | InChI=1S/C15H15N3OS2/c20-15(16-8-12-5-3-7-19-12)18-17-14-10-21-9-11-4-1-2-6-13(11)14/h1-7H,8-10H2,(H2,16,18,20) |
| InChIK | UWDQVTCEMFYUEP-UHFFFAOYSA-N |
| TotalMolweight | 317.436 |
| Molweight | 317.436 |
| MonoisotopicMass | 317.065652 |
| CLogP | 2.7877 |
| CLogS | -5.049 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 246.58 |
| Relative PSA | 0.38134 |
| PolarSurfaceArea | 106.95 |
| Druglikeness | 2.355 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| StereoCon |
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