(3Z)-1-phenyl-3-(2-phenyl-3H-isoindol-1-ylidene)urea
Formula:C21H17N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-1-phenyl-3-(2-phenyl-3H-isoindol-1-ylidene)urea is a drug-like molecule.
| MolName | (3Z)-1-phenyl-3-(2-phenyl-3H-isoindol-1-ylidene)urea |
| MolecularFormula | C21H17N3O |
| Smiles | O=C(Nc1ccccc1)/N=C(/c1c(C2)cccc1)\N2c1ccccc1 |
| InChI | InChI=1S/C21H17N3O/c25-21(22-17-10-3-1-4-11-17)23-20-19-14-8-7-9-16(19)15-24(20)18-12-5-2-6-13-18/h1-14H,15H2,(H,22,25) |
| InChIK | XCXZCNGZLRXNAL-UHFFFAOYSA-N |
| TotalMolweight | 327.386 |
| Molweight | 327.386 |
| MonoisotopicMass | 327.137162 |
| CLogP | 3.9392 |
| CLogS | -5.365 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 255.52 |
| Relative PSA | 0.15482 |
| PolarSurfaceArea | 44.7 |
| Druglikeness | 2.568 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| 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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