3-[5-[(Z)-[(4-amino-1,2,5-oxadiazole-3-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
Formula:C15H11N5O5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-[5-[(Z)-[(4-amino-1,2,5-oxadiazole-3-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid is a drug-like molecule.
| MolName | 3-[5-[(Z)-[(4-amino-1,2,5-oxadiazole-3-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid |
| MolecularFormula | C15H11N5O5 |
| Smiles | Nc1nonc1C(N/N=C\c1ccc(-c2cccc(C(O)=O)c2)o1)=O |
| InChI | InChI=1S/C15H11N5O5/c16-13-12(19-25-20-13)14(21)18-17-7-10-4-5-11(24-10)8-2-1-3-9(6-8)15(22)23/h1-7H,(H2,16,20)(H,18,21)(H,22,23) |
| InChIK | RTSHDBZRGVFGLX-UHFFFAOYSA-N |
| TotalMolweight | 341.282 |
| Molweight | 341.282 |
| MonoisotopicMass | 341.07602 |
| CLogP | 1.865 |
| CLogS | -4.062 |
| H Acceptors | 10 |
| H Donors | 3 |
| TotalSurfaceArea | 256.27 |
| Relative PSA | 0.49783 |
| PolarSurfaceArea | 156.84 |
| Druglikeness | 8.0264 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 3-[5-[(Z)-[(4-amino-1,2,5-oxadiazole-3-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid | 2 - 3-[5-[(Z)-[(4-amino-1,2,5-oxadiazole-3-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
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