(3Z)-3-benzylidenechromen-4-one
Formula:C16H12O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-3-benzylidenechromen-4-one is a drug-like molecule.
| MolName | (3Z)-3-benzylidenechromen-4-one |
| MolecularFormula | C16H12O2 |
| Smiles | O=C1c(cccc2)c2OC/C1=C/c1ccccc1 |
| InChI | InChI=1S/C16H12O2/c17-16-13(10-12-6-2-1-3-7-12)11-18-15-9-5-4-8-14(15)16/h1-10H,11H2 |
| InChIK | TXRPREROCFYGHX-UHFFFAOYSA-N |
| TotalMolweight | 236.269 |
| Molweight | 236.269 |
| MonoisotopicMass | 236.08373 |
| CLogP | 3.4238 |
| CLogS | -3.828 |
| H Acceptors | 2 |
| TotalSurfaceArea | 185.74 |
| Relative PSA | 0.12404 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | 0.181 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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