(Z)-3-(3-nitrophenyl)-2-phenylprop-2-enoate
Formula:C15H10NO4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(Z)-3-(3-nitrophenyl)-2-phenylprop-2-enoate is a drug-like molecule.
| MolName | (Z)-3-(3-nitrophenyl)-2-phenylprop-2-enoate |
| MolecularFormula | C15H10NO4 |
| Smiles | [O-]C(/C(/c1ccccc1)=C\c1cccc([N+]([O-])=O)c1)=O |
| InChI | InChI=1S/C15H11NO4/c17-15(18)14(12-6-2-1-3-7-12)10-11-5-4-8-13(9-11)16(19)20/h1-10H,(H,17,18)/p-1 |
| InChIK | AWELCBAXCALMIX-UHFFFAOYSA-M |
| TotalMolweight | 268.247 |
| Molweight | 268.247 |
| MonoisotopicMass | 268.060984 |
| CLogP | -0.1869 |
| CLogS | -3.416 |
| H Acceptors | 5 |
| TotalSurfaceArea | 206.68 |
| Relative PSA | 0.27937 |
| PolarSurfaceArea | 85.95 |
| Druglikeness | -4.7501 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.55 |
| 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 | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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