1-[(4-chlorophenyl)methyl]-3-[(E)-2-phenylethenyl]urea
Formula:C16H15N2OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(4-chlorophenyl)methyl]-3-[(E)-2-phenylethenyl]urea is a drug-like molecule.
| MolName | 1-[(4-chlorophenyl)methyl]-3-[(E)-2-phenylethenyl]urea |
| MolecularFormula | C16H15N2OCl |
| Smiles | O=C(NCc(cc1)ccc1Cl)N/C=C/c1ccccc1 |
| InChI | InChI=1S/C16H15ClN2O/c17-15-8-6-14(7-9-15)12-19-16(20)18-11-10-13-4-2-1-3-5-13/h1-11H,12H2,(H2,18,19,20) |
| InChIK | XKOIGPNWWVCRSB-UHFFFAOYSA-N |
| TotalMolweight | 286.761 |
| Molweight | 286.761 |
| MonoisotopicMass | 286.08729 |
| CLogP | 3.1384 |
| CLogS | -4.711 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 229.37 |
| Relative PSA | 0.15678 |
| PolarSurfaceArea | 41.13 |
| Druglikeness | 1.1404 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - 1-[(4-chlorophenyl)methyl]-3-[(E)-2-phenylethenyl]urea | 2 - 1-[(4-chlorophenyl)methyl]-3-[(E)-2-phenylethenyl]urea
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