(E)-1-(9H-carbazol-3-yl)-3-(4-chlorophenyl)prop-2-en-1-one
Formula:C21H14NOCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(9H-carbazol-3-yl)-3-(4-chlorophenyl)prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-1-(9H-carbazol-3-yl)-3-(4-chlorophenyl)prop-2-en-1-one |
| MolecularFormula | C21H14NOCl |
| Smiles | O=C(/C=C/c(cc1)ccc1Cl)c(cc1)cc2c1[nH]c1c2cccc1 |
| InChI | InChI=1S/C21H14ClNO/c22-16-9-5-14(6-10-16)7-12-21(24)15-8-11-20-18(13-15)17-3-1-2-4-19(17)23-20/h1-13,23H |
| InChIK | NLAZOVZLSSIIMC-UHFFFAOYSA-N |
| TotalMolweight | 331.801 |
| Molweight | 331.801 |
| MonoisotopicMass | 331.076391 |
| CLogP | 5.2661 |
| CLogS | -6.602 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 251.46 |
| Relative PSA | 0.10749 |
| PolarSurfaceArea | 32.86 |
| Druglikeness | 0.88842 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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