(Z)-1-(furan-2-yl)-3-(1H-indazol-5-ylamino)prop-2-en-1-one
Formula:C14H11N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-(furan-2-yl)-3-(1H-indazol-5-ylamino)prop-2-en-1-one is a drug-like molecule.
| MolName | (Z)-1-(furan-2-yl)-3-(1H-indazol-5-ylamino)prop-2-en-1-one |
| MolecularFormula | C14H11N3O2 |
| Smiles | O=C(/C=C\Nc(cc1)cc2c1[nH]nc2)c1ccco1 |
| InChI | InChI=1S/C14H11N3O2/c18-13(14-2-1-7-19-14)5-6-15-11-3-4-12-10(8-11)9-16-17-12/h1-9,15H,(H,16,17) |
| InChIK | AHIYMLLNSITOFJ-UHFFFAOYSA-N |
| TotalMolweight | 253.26 |
| Molweight | 253.26 |
| MonoisotopicMass | 253.085127 |
| CLogP | 0.8737 |
| CLogS | -3.542 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 201.35 |
| Relative PSA | 0.31572 |
| PolarSurfaceArea | 70.92 |
| Druglikeness | 3.2112 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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