[[(E)-3-quinolin-3-ylprop-2-enoyl]amino]urea
Formula:C13H12N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[[(E)-3-quinolin-3-ylprop-2-enoyl]amino]urea is a drug-like molecule.
| MolName | [[(E)-3-quinolin-3-ylprop-2-enoyl]amino]urea |
| MolecularFormula | C13H12N4O2 |
| Smiles | NC(NNC(/C=C/c1cc2ccccc2nc1)=O)=O |
| InChI | InChI=1S/C13H12N4O2/c14-13(19)17-16-12(18)6-5-9-7-10-3-1-2-4-11(10)15-8-9/h1-8H,(H,16,18)(H3,14,17,19) |
| InChIK | OHWYBEJOFGZCAX-UHFFFAOYSA-N |
| TotalMolweight | 256.264 |
| Molweight | 256.264 |
| MonoisotopicMass | 256.096026 |
| CLogP | 0.1965 |
| CLogS | -3.479 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 200.06 |
| Relative PSA | 0.37609 |
| PolarSurfaceArea | 97.11 |
| Druglikeness | 1.4255 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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