(E)-3-(2-chlorophenyl)-2-(furan-2-carbonylamino)prop-2-enoic acid
Formula:C14H10NO4Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-3-(2-chlorophenyl)-2-(furan-2-carbonylamino)prop-2-enoic acid is a drug-like molecule.
| MolName | (E)-3-(2-chlorophenyl)-2-(furan-2-carbonylamino)prop-2-enoic acid |
| MolecularFormula | C14H10NO4Cl |
| Smiles | OC(/C(/NC(c1ccco1)=O)=C\c(cccc1)c1Cl)=O |
| InChI | InChI=1S/C14H10ClNO4/c15-10-5-2-1-4-9(10)8-11(14(18)19)16-13(17)12-6-3-7-20-12/h1-8H,(H,16,17)(H,18,19) |
| InChIK | IGUBHDUHJCOKNG-UHFFFAOYSA-N |
| TotalMolweight | 291.689 |
| Molweight | 291.689 |
| MonoisotopicMass | 291.029836 |
| CLogP | 2.5561 |
| CLogS | -3.792 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 216.15 |
| Relative PSA | 0.29956 |
| PolarSurfaceArea | 79.54 |
| Druglikeness | -0.3029 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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