(4-phenylphenyl) (E)-3-(4-nitrophenyl)prop-2-enoate
Formula:C21H15NO4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4-phenylphenyl) (E)-3-(4-nitrophenyl)prop-2-enoate is a drug-like molecule.
| MolName | (4-phenylphenyl) (E)-3-(4-nitrophenyl)prop-2-enoate |
| MolecularFormula | C21H15NO4 |
| Smiles | [O-][N+](c1ccc(/C=C/C(Oc(cc2)ccc2-c2ccccc2)=O)cc1)=O |
| InChI | InChI=1S/C21H15NO4/c23-21(15-8-16-6-11-19(12-7-16)22(24)25)26-20-13-9-18(10-14-20)17-4-2-1-3-5-17/h1-15H |
| InChIK | ZSQKOOGYFHUBAS-UHFFFAOYSA-N |
| TotalMolweight | 345.353 |
| Molweight | 345.353 |
| MonoisotopicMass | 345.100109 |
| CLogP | 4.1569 |
| CLogS | -6.002 |
| H Acceptors | 5 |
| TotalSurfaceArea | 270.7 |
| Relative PSA | 0.19749 |
| PolarSurfaceArea | 72.12 |
| Druglikeness | -8.3166 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| AcidicOxygens | 1 |
| StereoCon |
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