(Z)-2-[2-amino-4-(trifluoromethyl)phenyl]-3-(4-chlorophenyl)prop-2-enoic acid
Formula:C16H11NO2ClF3
Mutagenic:low
Tumorigenic:high
Reproductive Effective:high
(Z)-2-[2-amino-4-(trifluoromethyl)phenyl]-3-(4-chlorophenyl)prop-2-enoic acid is a drug-like molecule.
| MolName | (Z)-2-[2-amino-4-(trifluoromethyl)phenyl]-3-(4-chlorophenyl)prop-2-enoic acid |
| MolecularFormula | C16H11NO2ClF3 |
| Smiles | Nc(cc(C(F)(F)F)cc1)c1/C(/C(O)=O)=C/c(cc1)ccc1Cl |
| InChI | InChI=1S/C16H11ClF3NO2/c17-11-4-1-9(2-5-11)7-13(15(22)23)12-6-3-10(8-14(12)21)16(18,19)20/h1-8H,21H2,(H,22,23) |
| InChIK | FFMPFWXCDUNYEJ-UHFFFAOYSA-N |
| TotalMolweight | 341.715 |
| Molweight | 341.715 |
| MonoisotopicMass | 341.04304 |
| CLogP | 3.5877 |
| CLogS | -4.546 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 235.23 |
| Relative PSA | 0.17604 |
| PolarSurfaceArea | 63.32 |
| Druglikeness | -6.6286 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-2-[2-amino-4-(trifluoromethyl)phenyl]-3-(4-chlorophenyl)prop-2-enoic acid | 2 - (Z)-2-[2-amino-4-(trifluoromethyl)phenyl]-3-(4-chlorophenyl)prop-2-enoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off