(E)-4-(9H-fluoren-9-ylamino)-4-oxobut-2-enoic acid
Formula:C17H13NO3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-4-(9H-fluoren-9-ylamino)-4-oxobut-2-enoic acid is a drug-like molecule.
| MolName | (E)-4-(9H-fluoren-9-ylamino)-4-oxobut-2-enoic acid |
| MolecularFormula | C17H13NO3 |
| Smiles | OC(/C=C/C(NC1c(cccc2)c2-c2c1cccc2)=O)=O |
| InChI | InChI=1S/C17H13NO3/c19-15(9-10-16(20)21)18-17-13-7-3-1-5-11(13)12-6-2-4-8-14(12)17/h1-10,17H,(H,18,19)(H,20,21) |
| InChIK | OKBDZJVMPJWKMF-UHFFFAOYSA-N |
| TotalMolweight | 279.294 |
| Molweight | 279.294 |
| MonoisotopicMass | 279.089544 |
| CLogP | 2.3428 |
| CLogS | -3.821 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 211.83 |
| Relative PSA | 0.23906 |
| PolarSurfaceArea | 66.4 |
| Druglikeness | 1.8068 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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