1-cyclohexyl-3-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]urea
Formula:C19H19N3O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
1-cyclohexyl-3-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]urea is a drug-like molecule.
| MolName | 1-cyclohexyl-3-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]urea |
| MolecularFormula | C19H19N3O2 |
| Smiles | O=C(NC1CCCCC1)N/N=C(\c1c(c2ccc3)c3ccc1)/C2=O |
| InChI | InChI=1S/C19H19N3O2/c23-18-15-11-5-7-12-6-4-10-14(16(12)15)17(18)21-22-19(24)20-13-8-2-1-3-9-13/h4-7,10-11,13H,1-3,8-9H2,(H2,20,22,24) |
| InChIK | WIEBQMPMQBCCNN-UHFFFAOYSA-N |
| TotalMolweight | 321.379 |
| Molweight | 321.379 |
| MonoisotopicMass | 321.147727 |
| CLogP | 3.6748 |
| CLogS | -6.5 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 243.55 |
| Relative PSA | 0.24845 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | -0.245 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 1-cyclohexyl-3-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]urea | 2 - 1-cyclohexyl-3-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]urea
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off