2-[5,9-dimethyl-7-oxo-3-(4-phenylphenyl)furo[3,2-g]chromen-6-yl]acetate
Formula:C27H19O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-[5,9-dimethyl-7-oxo-3-(4-phenylphenyl)furo[3,2-g]chromen-6-yl]acetate is a drug-like molecule.
| MolName | 2-[5,9-dimethyl-7-oxo-3-(4-phenylphenyl)furo[3,2-g]chromen-6-yl]acetate |
| MolecularFormula | C27H19O5 |
| Smiles | Cc(c(O1)c(cc23)C(C)=C(CC([O-])=O)C1=O)c2occ3-c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C27H20O5/c1-15-20-12-22-23(19-10-8-18(9-11-19)17-6-4-3-5-7-17)14-31-25(22)16(2)26(20)32-27(30)21(15)13-24(28)29/h3-12,14H,13H2,1-2H3,(H,28,29)/p-1 |
| InChIK | QJCTXDRIILNYIP-UHFFFAOYSA-M |
| TotalMolweight | 423.443 |
| Molweight | 423.443 |
| MonoisotopicMass | 423.12325 |
| CLogP | 3.2318 |
| CLogS | -7.643 |
| H Acceptors | 5 |
| TotalSurfaceArea | 317.8 |
| Relative PSA | 0.20286 |
| PolarSurfaceArea | 79.57 |
| Druglikeness | 0.41374 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[5,9-dimethyl-7-oxo-3-(4-phenylphenyl)furo[3,2-g]chromen-6-yl]acetate | 2 - 2-[5,9-dimethyl-7-oxo-3-(4-phenylphenyl)furo[3,2-g]chromen-6-yl]acetate
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