(3Z)-3-(1H-indol-3-ylmethylidene)-2-phenylchromen-4-one
Formula:C24H17NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-3-(1H-indol-3-ylmethylidene)-2-phenylchromen-4-one is a drug-like molecule.
| MolName | (3Z)-3-(1H-indol-3-ylmethylidene)-2-phenylchromen-4-one |
| MolecularFormula | C24H17NO2 |
| Smiles | O=C(/C1=C\c2c[nH]c3c2cccc3)c(cccc2)c2OC1c1ccccc1 |
| InChI | InChI=1S/C24H17NO2/c26-23-19-11-5-7-13-22(19)27-24(16-8-2-1-3-9-16)20(23)14-17-15-25-21-12-6-4-10-18(17)21/h1-15,24-25H/t24-/m0/s1 |
| InChIK | XOEGOPOWDZTUJJ-DEOSSOPVSA-N |
| TotalMolweight | 351.404 |
| Molweight | 351.404 |
| MonoisotopicMass | 351.125929 |
| CLogP | 4.9794 |
| CLogS | -5.447 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 268.41 |
| Relative PSA | 0.13796 |
| PolarSurfaceArea | 42.09 |
| Druglikeness | 1.2991 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
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