1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-5-phenyltriazole-4-carboxamide
Formula:C18H14N8O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-5-phenyltriazole-4-carboxamide is not a drug-like molecule.
| MolName | 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-5-phenyltriazole-4-carboxamide |
| MolecularFormula | C18H14N8O3 |
| Smiles | Nc1nonc1-n1nnc(C(N/N=C\c2cc(O)ccc2)=O)c1-c1ccccc1 |
| InChI | InChI=1S/C18H14N8O3/c19-16-17(24-29-23-16)26-15(12-6-2-1-3-7-12)14(21-25-26)18(28)22-20-10-11-5-4-8-13(27)9-11/h1-10,27H,(H2,19,23)(H,22,28) |
| InChIK | CDBYLBJDWOFHEC-UHFFFAOYSA-N |
| TotalMolweight | 390.362 |
| Molweight | 390.362 |
| MonoisotopicMass | 390.118887 |
| CLogP | 3.0999 |
| CLogS | -2.91 |
| H Acceptors | 11 |
| H Donors | 3 |
| TotalSurfaceArea | 295.31 |
| Relative PSA | 0.43764 |
| PolarSurfaceArea | 157.34 |
| Druglikeness | 1.9831 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 5 |
| StereoCon |
Click to Load Molecule:
1 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-5-phenyltriazole-4-carboxamide | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-5-phenyltriazole-4-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off