(E)-3-(1H-indol-3-yl)-1-(4-phenylphenyl)prop-2-en-1-one
Formula:C23H17NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(1H-indol-3-yl)-1-(4-phenylphenyl)prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-(1H-indol-3-yl)-1-(4-phenylphenyl)prop-2-en-1-one |
| MolecularFormula | C23H17NO |
| Smiles | O=C(/C=C/c1c[nH]c2c1cccc2)c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C23H17NO/c25-23(15-14-20-16-24-22-9-5-4-8-21(20)22)19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-16,24H |
| InChIK | RFOUVPFZATXPNJ-UHFFFAOYSA-N |
| TotalMolweight | 323.394 |
| Molweight | 323.394 |
| MonoisotopicMass | 323.131014 |
| CLogP | 5.0024 |
| CLogS | -6.451 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 261.2 |
| Relative PSA | 0.10348 |
| PolarSurfaceArea | 32.86 |
| Druglikeness | 0.95633 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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