(Z)-4-(1H-indazol-5-ylamino)-4-oxobut-2-enoic acid
Formula:C11H9N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-4-(1H-indazol-5-ylamino)-4-oxobut-2-enoic acid is a drug-like molecule.
| MolName | (Z)-4-(1H-indazol-5-ylamino)-4-oxobut-2-enoic acid |
| MolecularFormula | C11H9N3O3 |
| Smiles | OC(/C=C\C(Nc(cc1)cc2c1[nH]nc2)=O)=O |
| InChI | InChI=1S/C11H9N3O3/c15-10(3-4-11(16)17)13-8-1-2-9-7(5-8)6-12-14-9/h1-6H,(H,12,14)(H,13,15)(H,16,17) |
| InChIK | KJYKRLGZRDUUHW-UHFFFAOYSA-N |
| TotalMolweight | 231.21 |
| Molweight | 231.21 |
| MonoisotopicMass | 231.064392 |
| CLogP | -0.0459 |
| CLogS | -1.819 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 176 |
| Relative PSA | 0.42955 |
| PolarSurfaceArea | 95.08 |
| Druglikeness | 3.1773 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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