(E)-1-(5-chloro-2-difluoroboranyloxyphenyl)-3-(9-propylcarbazol-3-yl)prop-2-en-1-one
Formula:C24H19NO2BClF2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(5-chloro-2-difluoroboranyloxyphenyl)-3-(9-propylcarbazol-3-yl)prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-1-(5-chloro-2-difluoroboranyloxyphenyl)-3-(9-propylcarbazol-3-yl)prop-2-en-1-one |
| MolecularFormula | C24H19NO2BClF2 |
| Smiles | CCCn1c(ccc(/C=C/C(c(cc(cc2)Cl)c2OB(F)F)=O)c2)c2c2c1cccc2 |
| InChI | InChI=1S/C24H19BClF2NO2/c1-2-13-29-21-6-4-3-5-18(21)19-14-16(7-10-22(19)29)8-11-23(30)20-15-17(26)9-12-24(20)31-25(27)28/h3-12,14-15H,2,13H2,1H3 |
| InChIK | IUQLOYVDKVRCJB-UHFFFAOYSA-N |
| TotalMolweight | 437.68 |
| Molweight | 437.68 |
| MonoisotopicMass | 437.116542 |
| CLogP | 5.8677 |
| CLogS | -7.208 |
| H Acceptors | 3 |
| TotalSurfaceArea | 328.17 |
| Relative PSA | 0.091142 |
| PolarSurfaceArea | 31.23 |
| Druglikeness | -4.0619 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | unwanted atom |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 4 |
| Symmetricatoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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