2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-4-phenylthiophene-3-carboxylate
Formula:C18H12NO4S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-4-phenylthiophene-3-carboxylate is a drug-like molecule.
| MolName | 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-4-phenylthiophene-3-carboxylate |
| MolecularFormula | C18H12NO4S |
| Smiles | [O-]C(c1c(NC(/C=C/c2ccco2)=O)scc1-c1ccccc1)=O |
| InChI | InChI=1S/C18H13NO4S/c20-15(9-8-13-7-4-10-23-13)19-17-16(18(21)22)14(11-24-17)12-5-2-1-3-6-12/h1-11H,(H,19,20)(H,21,22)/p-1 |
| InChIK | WWJDTCKZONJWRU-UHFFFAOYSA-M |
| TotalMolweight | 338.362 |
| Molweight | 338.362 |
| MonoisotopicMass | 338.048704 |
| CLogP | 1.3673 |
| CLogS | -5.329 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 259.4 |
| Relative PSA | 0.33265 |
| PolarSurfaceArea | 110.61 |
| Druglikeness | 1.5776 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-4-phenylthiophene-3-carboxylate | 2 - 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-4-phenylthiophene-3-carboxylate
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