1-[(3-chlorophenyl)methyl]-3-[(E)-2-(3,4-dichlorophenyl)ethenyl]urea
Formula:C16H13N2OCl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(3-chlorophenyl)methyl]-3-[(E)-2-(3,4-dichlorophenyl)ethenyl]urea is a drug-like molecule.
| MolName | 1-[(3-chlorophenyl)methyl]-3-[(E)-2-(3,4-dichlorophenyl)ethenyl]urea |
| MolecularFormula | C16H13N2OCl3 |
| Smiles | O=C(NCc1cc(Cl)ccc1)N/C=C/c(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C16H13Cl3N2O/c17-13-3-1-2-12(8-13)10-21-16(22)20-7-6-11-4-5-14(18)15(19)9-11/h1-9H,10H2,(H2,20,21,22) |
| InChIK | CQRNKGNBTQBJMS-UHFFFAOYSA-N |
| TotalMolweight | 355.651 |
| Molweight | 355.651 |
| MonoisotopicMass | 354.009344 |
| CLogP | 4.3504 |
| CLogS | -6.183 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 260.21 |
| Relative PSA | 0.1382 |
| PolarSurfaceArea | 41.13 |
| Druglikeness | 1.1404 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Amides | 2 |
| StereoCon |
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1 - 1-[(3-chlorophenyl)methyl]-3-[(E)-2-(3,4-dichlorophenyl)ethenyl]urea | 2 - 1-[(3-chlorophenyl)methyl]-3-[(E)-2-(3,4-dichlorophenyl)ethenyl]urea
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