(Z)-2-(4-nitrophenyl)-3-phenylprop-2-enoic acid
Formula:C15H11NO4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(Z)-2-(4-nitrophenyl)-3-phenylprop-2-enoic acid is a drug-like molecule.
| MolName | (Z)-2-(4-nitrophenyl)-3-phenylprop-2-enoic acid |
| MolecularFormula | C15H11NO4 |
| Smiles | [O-][N+](c(cc1)ccc1/C(/C(O)=O)=C/c1ccccc1)=O |
| InChI | InChI=1S/C15H11NO4/c17-15(18)14(10-11-4-2-1-3-5-11)12-6-8-13(9-7-12)16(19)20/h1-10H,(H,17,18) |
| InChIK | JXVPBSPAIXEUPB-UHFFFAOYSA-N |
| TotalMolweight | 269.255 |
| Molweight | 269.255 |
| MonoisotopicMass | 269.068809 |
| CLogP | 1.8891 |
| CLogS | -3.416 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 205.5 |
| Relative PSA | 0.27523 |
| PolarSurfaceArea | 83.12 |
| Druglikeness | -4.7768 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| AcidicOxygens | 2 |
| StereoCon |
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