(E)-3-(4-chlorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one
Formula:C15H10NO3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-chlorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(4-chlorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one |
| MolecularFormula | C15H10NO3Cl |
| Smiles | [O-][N+](c(cc1)ccc1C(/C=C/c(cc1)ccc1Cl)=O)=O |
| InChI | InChI=1S/C15H10ClNO3/c16-13-6-1-11(2-7-13)3-10-15(18)12-4-8-14(9-5-12)17(19)20/h1-10H |
| InChIK | QLTQCJDNKZWUPQ-UHFFFAOYSA-N |
| TotalMolweight | 287.701 |
| Molweight | 287.701 |
| MonoisotopicMass | 287.034921 |
| CLogP | 2.9882 |
| CLogS | -5.036 |
| H Acceptors | 4 |
| TotalSurfaceArea | 216.36 |
| Relative PSA | 0.20087 |
| PolarSurfaceArea | 62.89 |
| Druglikeness | -4.945 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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