4-amino-N-[(Z)-[4-[(Z)-[(4-amino-1,2,5-oxadiazole-3-carbonyl)hydrazinylidene]methyl]phenyl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide
Formula:C14H12N10O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-amino-N-[(Z)-[4-[(Z)-[(4-amino-1,2,5-oxadiazole-3-carbonyl)hydrazinylidene]methyl]phenyl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide is not a drug-like molecule.
| MolName | 4-amino-N-[(Z)-[4-[(Z)-[(4-amino-1,2,5-oxadiazole-3-carbonyl)hydrazinylidene]methyl]phenyl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide |
| MolecularFormula | C14H12N10O4 |
| Smiles | Nc1nonc1C(N/N=C\c1ccc(/C=N\NC(c2nonc2N)=O)cc1)=O |
| InChI | InChI=1S/C14H12N10O4/c15-11-9(21-27-23-11)13(25)19-17-5-7-1-2-8(4-3-7)6-18-20-14(26)10-12(16)24-28-22-10/h1-6H,(H2,15,23)(H2,16,24)(H,19,25)(H,20,26) |
| InChIK | HCHPKTZSOMPQPJ-UHFFFAOYSA-N |
| TotalMolweight | 384.315 |
| Molweight | 384.315 |
| MonoisotopicMass | 384.1043 |
| CLogP | 1.2224 |
| CLogS | -3.562 |
| H Acceptors | 14 |
| H Donors | 4 |
| TotalSurfaceArea | 292.18 |
| Relative PSA | 0.59778 |
| PolarSurfaceArea | 212.8 |
| Druglikeness | 6.2953 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 14 |
| Electronegative Atoms | 14 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 15 |
| Aromatic Nitrogens | 4 |
| StereoCon |
Click to Load Molecule:
1 - 4-amino-N-[(Z)-[4-[(Z)-[(4-amino-1,2,5-oxadiazole-3-carbonyl)hydrazinylidene]methyl]phenyl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide | 2 - 4-amino-N-[(Z)-[4-[(Z)-[(4-amino-1,2,5-oxadiazole-3-carbonyl)hydrazinylidene]methyl]phenyl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide
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