(E)-N-(4-chlorophenyl)-3-(3-phenyl-2,1-benzoxazol-6-yl)prop-2-enamide
Formula:C22H15N2O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(4-chlorophenyl)-3-(3-phenyl-2,1-benzoxazol-6-yl)prop-2-enamide is not a drug-like molecule.
| MolName | (E)-N-(4-chlorophenyl)-3-(3-phenyl-2,1-benzoxazol-6-yl)prop-2-enamide |
| MolecularFormula | C22H15N2O2Cl |
| Smiles | O=C(/C=C/c1cc2noc(-c3ccccc3)c2cc1)Nc(cc1)ccc1Cl |
| InChI | InChI=1S/C22H15ClN2O2/c23-17-8-10-18(11-9-17)24-21(26)13-7-15-6-12-19-20(14-15)25-27-22(19)16-4-2-1-3-5-16/h1-14H,(H,24,26) |
| InChIK | FPHQHHHBPWABOM-UHFFFAOYSA-N |
| TotalMolweight | 374.826 |
| Molweight | 374.826 |
| MonoisotopicMass | 374.082205 |
| CLogP | 5.2197 |
| CLogS | -6.61 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 286.96 |
| Relative PSA | 0.17278 |
| PolarSurfaceArea | 55.13 |
| Druglikeness | 1.6942 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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