(5-phenyl-1,3,4-oxadiazol-2-yl)methyl (E)-3-(2-chlorophenyl)prop-2-enoate
Formula:C18H13N2O3Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl (E)-3-(2-chlorophenyl)prop-2-enoate is a drug-like molecule.
| MolName | (5-phenyl-1,3,4-oxadiazol-2-yl)methyl (E)-3-(2-chlorophenyl)prop-2-enoate |
| MolecularFormula | C18H13N2O3Cl |
| Smiles | O=C(/C=C/c(cccc1)c1Cl)OCc1nnc(-c2ccccc2)o1 |
| InChI | InChI=1S/C18H13ClN2O3/c19-15-9-5-4-6-13(15)10-11-17(22)23-12-16-20-21-18(24-16)14-7-2-1-3-8-14/h1-11H,12H2 |
| InChIK | DCLMSCQTPSHQAI-UHFFFAOYSA-N |
| TotalMolweight | 340.765 |
| Molweight | 340.765 |
| MonoisotopicMass | 340.06147 |
| CLogP | 3.6405 |
| CLogS | -5.199 |
| H Acceptors | 5 |
| TotalSurfaceArea | 263.42 |
| Relative PSA | 0.22432 |
| PolarSurfaceArea | 65.22 |
| Druglikeness | -1.7058 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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