(E)-1-naphthalen-1-yl-3-(2-nitrophenyl)prop-2-en-1-one
Formula:C19H13NO3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-1-naphthalen-1-yl-3-(2-nitrophenyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-naphthalen-1-yl-3-(2-nitrophenyl)prop-2-en-1-one |
| MolecularFormula | C19H13NO3 |
| Smiles | [O-][N+](c1c(/C=C/C(c2cccc3ccccc23)=O)cccc1)=O |
| InChI | InChI=1S/C19H13NO3/c21-19(13-12-15-7-2-4-11-18(15)20(22)23)17-10-5-8-14-6-1-3-9-16(14)17/h1-13H |
| InChIK | XOKUQHZHAGIJST-UHFFFAOYSA-N |
| TotalMolweight | 303.316 |
| Molweight | 303.316 |
| MonoisotopicMass | 303.089544 |
| CLogP | 3.5766 |
| CLogS | -5.906 |
| H Acceptors | 4 |
| TotalSurfaceArea | 235.54 |
| Relative PSA | 0.18451 |
| PolarSurfaceArea | 62.89 |
| Druglikeness | -5.0476 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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