6-chloro-3-[(E)-3-(3-nitrophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
Formula:C24H15N2O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
6-chloro-3-[(E)-3-(3-nitrophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one is a drug-like molecule.
| MolName | 6-chloro-3-[(E)-3-(3-nitrophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one |
| MolecularFormula | C24H15N2O4Cl |
| Smiles | [O-][N+](c1cccc(/C=C/C(C2=C(c3ccccc3)c(cc(cc3)Cl)c3NC2=O)=O)c1)=O |
| InChI | InChI=1S/C24H15ClN2O4/c25-17-10-11-20-19(14-17)22(16-6-2-1-3-7-16)23(24(29)26-20)21(28)12-9-15-5-4-8-18(13-15)27(30)31/h1-14H,(H,26,29) |
| InChIK | BCXHNAPLPBHTEH-UHFFFAOYSA-N |
| TotalMolweight | 430.846 |
| Molweight | 430.846 |
| MonoisotopicMass | 430.072035 |
| CLogP | 3.7442 |
| CLogS | -6.399 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 314.75 |
| Relative PSA | 0.21592 |
| PolarSurfaceArea | 91.99 |
| Druglikeness | -1.3575 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | twice activated DB; aromatic nitro |
| Shape Index | 0.45161 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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