6-[(Z)-1-chloro-2-phenylethenyl]-7-nitro-3-phenyl-1H-quinolin-4-one
Formula:C23H15N2O3Cl
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
6-[(Z)-1-chloro-2-phenylethenyl]-7-nitro-3-phenyl-1H-quinolin-4-one is a drug-like molecule.
| MolName | 6-[(Z)-1-chloro-2-phenylethenyl]-7-nitro-3-phenyl-1H-quinolin-4-one |
| MolecularFormula | C23H15N2O3Cl |
| Smiles | [O-][N+](c(cc(c1c2)NC=C(c3ccccc3)C1=O)c2/C(/Cl)=C/c1ccccc1)=O |
| InChI | InChI=1S/C23H15ClN2O3/c24-20(11-15-7-3-1-4-8-15)17-12-18-21(13-22(17)26(28)29)25-14-19(23(18)27)16-9-5-2-6-10-16/h1-14H,(H,25,27) |
| InChIK | HVYIIKIMQGEMEM-UHFFFAOYSA-N |
| TotalMolweight | 402.836 |
| Molweight | 402.836 |
| MonoisotopicMass | 402.07712 |
| CLogP | 3.6781 |
| CLogS | -5.402 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 297 |
| Relative PSA | 0.18492 |
| PolarSurfaceArea | 74.92 |
| Druglikeness | -3.862 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | allyl/benzyl chloride; aromatic nitro |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 6-[(Z)-1-chloro-2-phenylethenyl]-7-nitro-3-phenyl-1H-quinolin-4-one | 2 - 6-[(Z)-1-chloro-2-phenylethenyl]-7-nitro-3-phenyl-1H-quinolin-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off