(Z)-4-[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-4-hydroxy-2-oxobut-3-enoic acid
Formula:C15H12NO4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-4-[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-4-hydroxy-2-oxobut-3-enoic acid is a drug-like molecule.
| MolName | (Z)-4-[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-4-hydroxy-2-oxobut-3-enoic acid |
| MolecularFormula | C15H12NO4F |
| Smiles | O/C(/c1cccn1Cc(cc1)ccc1F)=C\C(C(O)=O)=O |
| InChI | InChI=1S/C15H12FNO4/c16-11-5-3-10(4-6-11)9-17-7-1-2-12(17)13(18)8-14(19)15(20)21/h1-8,18H,9H2,(H,20,21) |
| InChIK | UEQYRLJGCMWLDP-UHFFFAOYSA-N |
| TotalMolweight | 289.261 |
| Molweight | 289.261 |
| MonoisotopicMass | 289.075037 |
| CLogP | 0.5378 |
| CLogS | -1.269 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 215.24 |
| Relative PSA | 0.27481 |
| PolarSurfaceArea | 79.53 |
| Druglikeness | -5.1227 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-4-[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-4-hydroxy-2-oxobut-3-enoic acid | 2 - (Z)-4-[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-4-hydroxy-2-oxobut-3-enoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off