(3-nitrophenyl)methyl (E)-3-(furan-2-yl)prop-2-enoate
Formula:C14H11NO5
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(3-nitrophenyl)methyl (E)-3-(furan-2-yl)prop-2-enoate is a drug-like molecule.
| MolName | (3-nitrophenyl)methyl (E)-3-(furan-2-yl)prop-2-enoate |
| MolecularFormula | C14H11NO5 |
| Smiles | [O-][N+](c1cc(COC(/C=C/c2ccco2)=O)ccc1)=O |
| InChI | InChI=1S/C14H11NO5/c16-14(7-6-13-5-2-8-19-13)20-10-11-3-1-4-12(9-11)15(17)18/h1-9H,10H2 |
| InChIK | JANJHXFEQBJXKX-UHFFFAOYSA-N |
| TotalMolweight | 273.243 |
| Molweight | 273.243 |
| MonoisotopicMass | 273.063724 |
| CLogP | 1.587 |
| CLogS | -3.592 |
| H Acceptors | 6 |
| TotalSurfaceArea | 214.39 |
| Relative PSA | 0.31517 |
| PolarSurfaceArea | 85.26 |
| Druglikeness | -7.8415 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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