(2Z)-7-fluoro-2-[(2-nitroanilino)methylidene]-3-phenyl-3H-inden-1-one
Formula:C22H15N2O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-7-fluoro-2-[(2-nitroanilino)methylidene]-3-phenyl-3H-inden-1-one is a drug-like molecule.
| MolName | (2Z)-7-fluoro-2-[(2-nitroanilino)methylidene]-3-phenyl-3H-inden-1-one |
| MolecularFormula | C22H15N2O3F |
| Smiles | [O-][N+](c(cccc1)c1N/C=C(/C(c1cccc(F)c11)c2ccccc2)\C1=O)=O |
| InChI | InChI=1S/C22H15FN2O3/c23-17-10-6-9-15-20(14-7-2-1-3-8-14)16(22(26)21(15)17)13-24-18-11-4-5-12-19(18)25(27)28/h1-13,20,24H/t20-/m0/s1 |
| InChIK | ZWNOUSSCOSFKCT-FQEVSTJZSA-N |
| TotalMolweight | 374.37 |
| Molweight | 374.37 |
| MonoisotopicMass | 374.106671 |
| CLogP | 2.9645 |
| CLogS | -5.882 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 275.72 |
| Relative PSA | 0.19919 |
| PolarSurfaceArea | 74.92 |
| Druglikeness | -5.6378 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.42857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
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