| MolName | 1-(4-chlorophenyl)-3-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]urea |
| MolecularFormula | C22H22N5O3Cl |
| Smiles | O=C(Cn1c(cccc2)c2c(/C=N\NC(Nc(cc2)ccc2Cl)=O)c1)N1CCOCC1 |
| InChI | InChI=1S/C22H22ClN5O3/c23-17-5-7-18(8-6-17)25-22(30)26-24-13-16-14-28(20-4-2-1-3-19(16)20)15-21(29)27-9-11-31-12-10-27/h1-8,13-14H,9-12,15H2,(H2,25,26,30) |
| InChIK | MVOCSNAZDAZUPO-UHFFFAOYSA-N |
| TotalMolweight | 439.902 |
| Molweight | 439.902 |
| MonoisotopicMass | 439.141117 |
| CLogP | 3.1426 |
| CLogS | -4.338 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 331.02 |
| Relative PSA | 0.24449 |
| PolarSurfaceArea | 87.96 |
| Druglikeness | 6.1825 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 1-(4-chlorophenyl)-3-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]urea | 2 - 1-(4-chlorophenyl)-3-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]urea