6-nitro-4-phenyl-3-[(E)-3-phenylprop-2-enoyl]-1H-quinolin-2-one
Formula:C24H16N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
6-nitro-4-phenyl-3-[(E)-3-phenylprop-2-enoyl]-1H-quinolin-2-one is a drug-like molecule.
| MolName | 6-nitro-4-phenyl-3-[(E)-3-phenylprop-2-enoyl]-1H-quinolin-2-one |
| MolecularFormula | C24H16N2O4 |
| Smiles | [O-][N+](c(cc1)cc(C(c2ccccc2)=C2C(/C=C/c3ccccc3)=O)c1NC2=O)=O |
| InChI | InChI=1S/C24H16N2O4/c27-21(14-11-16-7-3-1-4-8-16)23-22(17-9-5-2-6-10-17)19-15-18(26(29)30)12-13-20(19)25-24(23)28/h1-15H,(H,25,28) |
| InChIK | KWOYWPHTHPVIAL-UHFFFAOYSA-N |
| TotalMolweight | 396.401 |
| Molweight | 396.401 |
| MonoisotopicMass | 396.111008 |
| CLogP | 3.1382 |
| CLogS | -5.663 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 299.33 |
| Relative PSA | 0.22704 |
| PolarSurfaceArea | 91.99 |
| Druglikeness | -1.4138 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | twice activated DB; aromatic nitro |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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