(E)-1-carbazol-9-yl-3-(4-nitrophenyl)prop-2-en-1-one
Formula:C21H14N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-carbazol-9-yl-3-(4-nitrophenyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-carbazol-9-yl-3-(4-nitrophenyl)prop-2-en-1-one |
| MolecularFormula | C21H14N2O3 |
| Smiles | [O-][N+](c1ccc(/C=C/C(n2c(cccc3)c3c3c2cccc3)=O)cc1)=O |
| InChI | InChI=1S/C21H14N2O3/c24-21(14-11-15-9-12-16(13-10-15)23(25)26)22-19-7-3-1-5-17(19)18-6-2-4-8-20(18)22/h1-14H |
| InChIK | LWPHUTVBYVZKQG-UHFFFAOYSA-N |
| TotalMolweight | 342.353 |
| Molweight | 342.353 |
| MonoisotopicMass | 342.100443 |
| CLogP | 4.0293 |
| CLogS | -5.725 |
| H Acceptors | 5 |
| TotalSurfaceArea | 259.34 |
| Relative PSA | 0.19407 |
| PolarSurfaceArea | 67.82 |
| Druglikeness | -4.7876 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 1 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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