2-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]acetic acid
Formula:C12H10NO3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]acetic acid is a drug-like molecule.
| MolName | 2-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]acetic acid |
| MolecularFormula | C12H10NO3F3 |
| Smiles | OC(CNC(/C=C/c1cccc(C(F)(F)F)c1)=O)=O |
| InChI | InChI=1S/C12H10F3NO3/c13-12(14,15)9-3-1-2-8(6-9)4-5-10(17)16-7-11(18)19/h1-6H,7H2,(H,16,17)(H,18,19) |
| InChIK | JYMGWJYSVGDUQH-UHFFFAOYSA-N |
| TotalMolweight | 273.209 |
| Molweight | 273.209 |
| MonoisotopicMass | 273.061278 |
| CLogP | 1.4059 |
| CLogS | -2.544 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 196.29 |
| Relative PSA | 0.25799 |
| PolarSurfaceArea | 66.4 |
| Druglikeness | -11.895 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]acetic acid | 2 - 2-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]acetic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off