[4-[(Z)-1-cyano-2-pyridin-4-ylethenyl]phenyl]urea
Formula:C15H12N4O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
[4-[(Z)-1-cyano-2-pyridin-4-ylethenyl]phenyl]urea is a drug-like molecule.
| MolName | [4-[(Z)-1-cyano-2-pyridin-4-ylethenyl]phenyl]urea |
| MolecularFormula | C15H12N4O |
| Smiles | NC(Nc(cc1)ccc1/C(/C#N)=C/c1ccncc1)=O |
| InChI | InChI=1S/C15H12N4O/c16-10-13(9-11-5-7-18-8-6-11)12-1-3-14(4-2-12)19-15(17)20/h1-9H,(H3,17,19,20) |
| InChIK | SRHWRBICYLITDJ-UHFFFAOYSA-N |
| TotalMolweight | 264.287 |
| Molweight | 264.287 |
| MonoisotopicMass | 264.101111 |
| CLogP | 1.4129 |
| CLogS | -3.439 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 215.93 |
| Relative PSA | 0.29778 |
| PolarSurfaceArea | 91.8 |
| Druglikeness | -3.2604 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 4 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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