1-[(2,6-dichlorophenyl)methyl]-3-[(E)-2-thiophen-2-ylethenyl]urea
Formula:C14H12N2OCl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(2,6-dichlorophenyl)methyl]-3-[(E)-2-thiophen-2-ylethenyl]urea is a drug-like molecule.
| MolName | 1-[(2,6-dichlorophenyl)methyl]-3-[(E)-2-thiophen-2-ylethenyl]urea |
| MolecularFormula | C14H12N2OCl2S |
| Smiles | O=C(NCc(c(Cl)ccc1)c1Cl)N/C=C/c1cccs1 |
| InChI | InChI=1S/C14H12Cl2N2OS/c15-12-4-1-5-13(16)11(12)9-18-14(19)17-7-6-10-3-2-8-20-10/h1-8H,9H2,(H2,17,18,19) |
| InChIK | SSIPZVIWHDPCCG-UHFFFAOYSA-N |
| TotalMolweight | 327.234 |
| Molweight | 327.234 |
| MonoisotopicMass | 326.004737 |
| CLogP | 3.611 |
| CLogS | -5.457 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 240.73 |
| Relative PSA | 0.23396 |
| PolarSurfaceArea | 69.37 |
| Druglikeness | 3.2164 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Amides | 2 |
| StereoCon |
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