(E)-N-[(3,5-dichloro-4-hydroxyphenyl)carbamothioyl]-3-(furan-2-yl)prop-2-enamide
Formula:C14H10N2O3Cl2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
(E)-N-[(3,5-dichloro-4-hydroxyphenyl)carbamothioyl]-3-(furan-2-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[(3,5-dichloro-4-hydroxyphenyl)carbamothioyl]-3-(furan-2-yl)prop-2-enamide |
| MolecularFormula | C14H10N2O3Cl2S |
| Smiles | Oc(c(Cl)cc(NC(NC(/C=C/c1ccco1)=O)=S)c1)c1Cl |
| InChI | InChI=1S/C14H10Cl2N2O3S/c15-10-6-8(7-11(16)13(10)20)17-14(22)18-12(19)4-3-9-2-1-5-21-9/h1-7,20H,(H2,17,18,19,22) |
| InChIK | YFIUDYRYEPWOSD-UHFFFAOYSA-N |
| TotalMolweight | 357.216 |
| Molweight | 357.216 |
| MonoisotopicMass | 355.978917 |
| CLogP | 3.3737 |
| CLogS | -4.901 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 259.78 |
| Relative PSA | 0.35095 |
| PolarSurfaceArea | 106.59 |
| Druglikeness | -0.115 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - (E)-N-[(3,5-dichloro-4-hydroxyphenyl)carbamothioyl]-3-(furan-2-yl)prop-2-enamide | 2 - (E)-N-[(3,5-dichloro-4-hydroxyphenyl)carbamothioyl]-3-(furan-2-yl)prop-2-enamide
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