(E)-3-[3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]prop-2-enoic acid
Formula:C18H15NO4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(E)-3-[3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]prop-2-enoic acid is a drug-like molecule.
| MolName | (E)-3-[3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]prop-2-enoic acid |
| MolecularFormula | C18H15NO4 |
| Smiles | OC(/C=C/c1cccc(N(C(C2C3C4C=CC2C4)=O)C3=O)c1)=O |
| InChI | InChI=1S/C18H15NO4/c20-14(21)7-4-10-2-1-3-13(8-10)19-17(22)15-11-5-6-12(9-11)16(15)18(19)23/h1-8,11-12,15-16H,9H2,(H,20,21) |
| InChIK | LKTGYFJIGDZRSD-UHFFFAOYSA-N |
| TotalMolweight | 309.32 |
| Molweight | 309.32 |
| MonoisotopicMass | 309.100109 |
| CLogP | 1.3899 |
| CLogS | -3.539 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 219.42 |
| Relative PSA | 0.25417 |
| PolarSurfaceArea | 74.68 |
| Druglikeness | 3.656 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - (E)-3-[3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]prop-2-enoic acid | 2 - (E)-3-[3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]prop-2-enoic acid
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