(2Z)-2-[(4-amino-1,2,5-oxadiazol-3-yl)hydrazinylidene]acetic acid
Formula:C4H5N5O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-[(4-amino-1,2,5-oxadiazol-3-yl)hydrazinylidene]acetic acid is a drug-like molecule.
| MolName | (2Z)-2-[(4-amino-1,2,5-oxadiazol-3-yl)hydrazinylidene]acetic acid |
| MolecularFormula | C4H5N5O3 |
| Smiles | Nc1nonc1N/N=C\C(O)=O |
| InChI | InChI=1S/C4H5N5O3/c5-3-4(9-12-8-3)7-6-1-2(10)11/h1H,(H2,5,8)(H,7,9)(H,10,11) |
| InChIK | UQPDXQJULJLKPB-UHFFFAOYSA-N |
| TotalMolweight | 171.116 |
| Molweight | 171.116 |
| MonoisotopicMass | 171.03924 |
| CLogP | 0.3467 |
| CLogS | -0.745 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 129.31 |
| Relative PSA | 0.77666 |
| PolarSurfaceArea | 126.63 |
| Druglikeness | 3.0225 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (2Z)-2-[(4-amino-1,2,5-oxadiazol-3-yl)hydrazinylidene]acetic acid | 2 - (2Z)-2-[(4-amino-1,2,5-oxadiazol-3-yl)hydrazinylidene]acetic acid
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