(E)-3-(furan-2-yl)-N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]prop-2-enamide
Formula:C18H14N2O3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(E)-3-(furan-2-yl)-N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(furan-2-yl)-N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]prop-2-enamide |
| MolecularFormula | C18H14N2O3S |
| Smiles | Oc1ccc2c(NC(NC(/C=C/c3ccco3)=O)=S)cccc2c1 |
| InChI | InChI=1S/C18H14N2O3S/c21-13-6-8-15-12(11-13)3-1-5-16(15)19-18(24)20-17(22)9-7-14-4-2-10-23-14/h1-11,21H,(H2,19,20,22,24) |
| InChIK | ISJJXWBVMHWBTP-UHFFFAOYSA-N |
| TotalMolweight | 338.386 |
| Molweight | 338.386 |
| MonoisotopicMass | 338.072513 |
| CLogP | 3.3561 |
| CLogS | -5.035 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 263.54 |
| Relative PSA | 0.34594 |
| PolarSurfaceArea | 106.59 |
| Druglikeness | -0.20995 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Amides | 1 |
| StereoCon |
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