furan-2-ylmethyl (Z)-2-benzamido-3-(4-chlorophenyl)prop-2-enoate
Formula:C21H16NO4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
furan-2-ylmethyl (Z)-2-benzamido-3-(4-chlorophenyl)prop-2-enoate is a drug-like molecule.
| MolName | furan-2-ylmethyl (Z)-2-benzamido-3-(4-chlorophenyl)prop-2-enoate |
| MolecularFormula | C21H16NO4Cl |
| Smiles | O=C(/C(/NC(c1ccccc1)=O)=C/c(cc1)ccc1Cl)OCc1ccco1 |
| InChI | InChI=1S/C21H16ClNO4/c22-17-10-8-15(9-11-17)13-19(21(25)27-14-18-7-4-12-26-18)23-20(24)16-5-2-1-3-6-16/h1-13H,14H2,(H,23,24) |
| InChIK | XYGSUTAXUWOSEV-UHFFFAOYSA-N |
| TotalMolweight | 381.814 |
| Molweight | 381.814 |
| MonoisotopicMass | 381.076786 |
| CLogP | 4.4021 |
| CLogS | -5.243 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 293.32 |
| Relative PSA | 0.21018 |
| PolarSurfaceArea | 68.54 |
| Druglikeness | 2.3099 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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