2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]acetic acid
Formula:C11H10NO3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]acetic acid is a drug-like molecule.
| MolName | 2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]acetic acid |
| MolecularFormula | C11H10NO3F |
| Smiles | OC(CNC(/C=C/c(cccc1)c1F)=O)=O |
| InChI | InChI=1S/C11H10FNO3/c12-9-4-2-1-3-8(9)5-6-10(14)13-7-11(15)16/h1-6H,7H2,(H,13,14)(H,15,16) |
| InChIK | SNYQKWIKNIRERU-UHFFFAOYSA-N |
| TotalMolweight | 223.202 |
| Molweight | 223.202 |
| MonoisotopicMass | 223.064472 |
| CLogP | 0.6584 |
| CLogS | -2.08 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 173.18 |
| Relative PSA | 0.29241 |
| PolarSurfaceArea | 66.4 |
| Druglikeness | -6.0446 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]acetic acid | 2 - 2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]acetic acid
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