(E)-3-(4-chloro-3-nitrophenyl)-1-(9H-fluoren-3-yl)prop-2-en-1-one
Formula:C22H14NO3Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-(4-chloro-3-nitrophenyl)-1-(9H-fluoren-3-yl)prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-(4-chloro-3-nitrophenyl)-1-(9H-fluoren-3-yl)prop-2-en-1-one |
| MolecularFormula | C22H14NO3Cl |
| Smiles | [O-][N+](c(cc(/C=C/C(c1cc(-c2c(C3)cccc2)c3cc1)=O)cc1)c1Cl)=O |
| InChI | InChI=1S/C22H14ClNO3/c23-20-9-5-14(11-21(20)24(26)27)6-10-22(25)17-8-7-16-12-15-3-1-2-4-18(15)19(16)13-17/h1-11,13H,12H2 |
| InChIK | GTBRQVSBCCMQBT-UHFFFAOYSA-N |
| TotalMolweight | 375.81 |
| Molweight | 375.81 |
| MonoisotopicMass | 375.066221 |
| CLogP | 5.0065 |
| CLogS | -7.747 |
| H Acceptors | 4 |
| TotalSurfaceArea | 276.38 |
| Relative PSA | 0.15725 |
| PolarSurfaceArea | 62.89 |
| Druglikeness | -5.0133 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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