N-[(Z)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]-6-hydroxyhexanamide
Formula:C9H16N6O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]-6-hydroxyhexanamide is a drug-like molecule.
| MolName | N-[(Z)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]-6-hydroxyhexanamide |
| MolecularFormula | C9H16N6O3 |
| Smiles | N/C(/c1nonc1N)=N\NC(CCCCCO)=O |
| InChI | InChI=1S/C9H16N6O3/c10-8(7-9(11)15-18-14-7)13-12-6(17)4-2-1-3-5-16/h16H,1-5H2,(H2,10,13)(H2,11,15)(H,12,17) |
| InChIK | SPFIXJRQKIEPNJ-UHFFFAOYSA-N |
| TotalMolweight | 256.265 |
| Molweight | 256.265 |
| MonoisotopicMass | 256.128389 |
| CLogP | 0.0421 |
| CLogS | -1.757 |
| H Acceptors | 9 |
| H Donors | 4 |
| TotalSurfaceArea | 204.84 |
| Relative PSA | 0.56483 |
| PolarSurfaceArea | 152.65 |
| Druglikeness | -14.206 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]-6-hydroxyhexanamide | 2 - N-[(Z)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]-6-hydroxyhexanamide
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