(E)-4-oxo-4-[(9-oxofluoren-2-yl)amino]but-2-enoic acid
Formula:C17H11NO4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-4-oxo-4-[(9-oxofluoren-2-yl)amino]but-2-enoic acid is a drug-like molecule.
| MolName | (E)-4-oxo-4-[(9-oxofluoren-2-yl)amino]but-2-enoic acid |
| MolecularFormula | C17H11NO4 |
| Smiles | OC(/C=C/C(Nc(cc1)cc2c1-c(cccc1)c1C2=O)=O)=O |
| InChI | InChI=1S/C17H11NO4/c19-15(7-8-16(20)21)18-10-5-6-12-11-3-1-2-4-13(11)17(22)14(12)9-10/h1-9H,(H,18,19)(H,20,21) |
| InChIK | HMCWJDHEDIGUQT-UHFFFAOYSA-N |
| TotalMolweight | 293.277 |
| Molweight | 293.277 |
| MonoisotopicMass | 293.068809 |
| CLogP | 2.2599 |
| CLogS | -4.845 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 217.08 |
| Relative PSA | 0.29335 |
| PolarSurfaceArea | 83.47 |
| Druglikeness | 1.483 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (E)-4-oxo-4-[(9-oxofluoren-2-yl)amino]but-2-enoic acid | 2 - (E)-4-oxo-4-[(9-oxofluoren-2-yl)amino]but-2-enoic acid
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