(3Z)-1-(4-chlorophenyl)-3-[2-(4-iodophenyl)-3H-isoindol-1-ylidene]urea
Formula:C21H15N3OClI
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-1-(4-chlorophenyl)-3-[2-(4-iodophenyl)-3H-isoindol-1-ylidene]urea is a drug-like molecule.
| MolName | (3Z)-1-(4-chlorophenyl)-3-[2-(4-iodophenyl)-3H-isoindol-1-ylidene]urea |
| MolecularFormula | C21H15N3OClI |
| Smiles | O=C(Nc(cc1)ccc1Cl)/N=C(/c1c(C2)cccc1)\N2c(cc1)ccc1I |
| InChI | InChI=1S/C21H15ClIN3O/c22-15-5-9-17(10-6-15)24-21(27)25-20-19-4-2-1-3-14(19)13-26(20)18-11-7-16(23)8-12-18/h1-12H,13H2,(H,24,27) |
| InChIK | SEUIJNZKTSASDV-UHFFFAOYSA-N |
| TotalMolweight | 487.723 |
| Molweight | 487.723 |
| MonoisotopicMass | 486.994837 |
| CLogP | 4.9823 |
| CLogS | -7.117 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 297.22 |
| Relative PSA | 0.1331 |
| PolarSurfaceArea | 44.7 |
| Druglikeness | 3.1294 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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