| MolName | [(E)-(4-indol-1-yl-4-oxo-1-phenylbutylidene)amino]urea |
| MolecularFormula | C19H18N4O2 |
| Smiles | NC(N/N=C(\CCC(n(cc1)c2c1cccc2)=O)/c1ccccc1)=O |
| InChI | InChI=1S/C19H18N4O2/c20-19(25)22-21-16(14-6-2-1-3-7-14)10-11-18(24)23-13-12-15-8-4-5-9-17(15)23/h1-9,12-13H,10-11H2,(H3,20,22,25) |
| InChIK | LDWYDOAEGHOTJP-UHFFFAOYSA-N |
| TotalMolweight | 334.378 |
| Molweight | 334.378 |
| MonoisotopicMass | 334.142976 |
| CLogP | 2.8658 |
| CLogS | -4.954 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 262.79 |
| Relative PSA | 0.2709 |
| PolarSurfaceArea | 89.48 |
| Druglikeness | 3.7642 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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