(E)-1-(4-chlorophenyl)-3-[4-[(4-nitrophenyl)methylidene]pyridin-1-yl]prop-2-en-1-one
Formula:C21H15N2O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(4-chlorophenyl)-3-[4-[(4-nitrophenyl)methylidene]pyridin-1-yl]prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(4-chlorophenyl)-3-[4-[(4-nitrophenyl)methylidene]pyridin-1-yl]prop-2-en-1-one |
| MolecularFormula | C21H15N2O3Cl |
| Smiles | [O-][N+](c1ccc(C=C2C=CN(/C=C/C(c(cc3)ccc3Cl)=O)C=C2)cc1)=O |
| InChI | InChI=1S/C21H15ClN2O3/c22-19-5-3-18(4-6-19)21(25)11-14-23-12-9-17(10-13-23)15-16-1-7-20(8-2-16)24(26)27/h1-15H |
| InChIK | WJFFNOUCRCVZPL-UHFFFAOYSA-N |
| TotalMolweight | 378.814 |
| Molweight | 378.814 |
| MonoisotopicMass | 378.07712 |
| CLogP | 3.0619 |
| CLogS | -5.911 |
| H Acceptors | 5 |
| TotalSurfaceArea | 290.87 |
| Relative PSA | 0.16162 |
| PolarSurfaceArea | 66.13 |
| Druglikeness | -3.5164 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.7037 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| AcidicOxygens | 1 |
| StereoCon |
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