1-cyclohexyl-3-[(Z)-pyridin-4-ylmethylideneamino]urea
Formula:C13H18N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-cyclohexyl-3-[(Z)-pyridin-4-ylmethylideneamino]urea is a drug-like molecule.
| MolName | 1-cyclohexyl-3-[(Z)-pyridin-4-ylmethylideneamino]urea |
| MolecularFormula | C13H18N4O |
| Smiles | O=C(NC1CCCCC1)N/N=C\c1ccncc1 |
| InChI | InChI=1S/C13H18N4O/c18-13(16-12-4-2-1-3-5-12)17-15-10-11-6-8-14-9-7-11/h6-10,12H,1-5H2,(H2,16,17,18) |
| InChIK | BCJNWMPGTQFEIM-UHFFFAOYSA-N |
| TotalMolweight | 246.313 |
| Molweight | 246.313 |
| MonoisotopicMass | 246.148061 |
| CLogP | 2.0416 |
| CLogS | -3.509 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 205.25 |
| Relative PSA | 0.28473 |
| PolarSurfaceArea | 66.38 |
| Druglikeness | -0.0016791 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 1-cyclohexyl-3-[(Z)-pyridin-4-ylmethylideneamino]urea | 2 - 1-cyclohexyl-3-[(Z)-pyridin-4-ylmethylideneamino]urea
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off