1-[(E)-2-thiophen-3-ylethenyl]-3-[2-(trifluoromethyl)phenyl]urea
Formula:C14H11N2OF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(E)-2-thiophen-3-ylethenyl]-3-[2-(trifluoromethyl)phenyl]urea is a drug-like molecule.
| MolName | 1-[(E)-2-thiophen-3-ylethenyl]-3-[2-(trifluoromethyl)phenyl]urea |
| MolecularFormula | C14H11N2OF3S |
| Smiles | O=C(N/C=C/c1cscc1)Nc1c(C(F)(F)F)cccc1 |
| InChI | InChI=1S/C14H11F3N2OS/c15-14(16,17)11-3-1-2-4-12(11)19-13(20)18-7-5-10-6-8-21-9-10/h1-9H,(H2,18,19,20) |
| InChIK | MBWBSCWRIAMSGZ-UHFFFAOYSA-N |
| TotalMolweight | 312.314 |
| Molweight | 312.314 |
| MonoisotopicMass | 312.054417 |
| CLogP | 3.4557 |
| CLogS | -4.837 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 225.59 |
| Relative PSA | 0.24966 |
| PolarSurfaceArea | 69.37 |
| Druglikeness | -6.1458 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - 1-[(E)-2-thiophen-3-ylethenyl]-3-[2-(trifluoromethyl)phenyl]urea | 2 - 1-[(E)-2-thiophen-3-ylethenyl]-3-[2-(trifluoromethyl)phenyl]urea
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off