1-(4-chlorophenyl)-3-[(E)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethenyl]urea
Formula:C15H10N3OCl2F3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
1-(4-chlorophenyl)-3-[(E)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethenyl]urea is a drug-like molecule.
| MolName | 1-(4-chlorophenyl)-3-[(E)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethenyl]urea |
| MolecularFormula | C15H10N3OCl2F3 |
| Smiles | O=C(N/C=C/c(ncc(C(F)(F)F)c1)c1Cl)Nc(cc1)ccc1Cl |
| InChI | InChI=1S/C15H10Cl2F3N3O/c16-10-1-3-11(4-2-10)23-14(24)21-6-5-13-12(17)7-9(8-22-13)15(18,19)20/h1-8H,(H2,21,23,24) |
| InChIK | NYXBKEJQZALFII-UHFFFAOYSA-N |
| TotalMolweight | 376.164 |
| Molweight | 376.164 |
| MonoisotopicMass | 375.0153 |
| CLogP | 3.9364 |
| CLogS | -5.638 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 259.25 |
| Relative PSA | 0.18102 |
| PolarSurfaceArea | 54.02 |
| Druglikeness | -6.9125 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 1-(4-chlorophenyl)-3-[(E)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethenyl]urea | 2 - 1-(4-chlorophenyl)-3-[(E)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethenyl]urea
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off