(3Z)-3-[(3-nitrophenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one
Formula:C23H15NO5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(3Z)-3-[(3-nitrophenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one is a drug-like molecule.
| MolName | (3Z)-3-[(3-nitrophenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one |
| MolecularFormula | C23H15NO5 |
| Smiles | [O-][N+](c1cc(/C=C(/C=C(c(cc2)ccc2Oc2ccccc2)O2)\C2=O)ccc1)=O |
| InChI | InChI=1S/C23H15NO5/c25-23-18(13-16-5-4-6-19(14-16)24(26)27)15-22(29-23)17-9-11-21(12-10-17)28-20-7-2-1-3-8-20/h1-15H |
| InChIK | KYVCMIHQVMMDFV-UHFFFAOYSA-N |
| TotalMolweight | 385.374 |
| Molweight | 385.374 |
| MonoisotopicMass | 385.095024 |
| CLogP | 3.8972 |
| CLogS | -6.434 |
| H Acceptors | 6 |
| TotalSurfaceArea | 290.12 |
| Relative PSA | 0.21874 |
| PolarSurfaceArea | 81.35 |
| Druglikeness | -5.1423 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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