4-amino-N'-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
Formula:C17H15N6O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-amino-N'-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1,2,5-oxadiazole-3-carboximidamide is a drug-like molecule.
| MolName | 4-amino-N'-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1,2,5-oxadiazole-3-carboximidamide |
| MolecularFormula | C17H15N6O2Cl |
| Smiles | N/C(/c1nonc1N)=N/N=C\c1cccc(OCc(cccc2)c2Cl)c1 |
| InChI | InChI=1S/C17H15ClN6O2/c18-14-7-2-1-5-12(14)10-25-13-6-3-4-11(8-13)9-21-22-16(19)15-17(20)24-26-23-15/h1-9H,10H2,(H2,19,22)(H2,20,24) |
| InChIK | YQMFAOPXHQNDOR-UHFFFAOYSA-N |
| TotalMolweight | 370.799 |
| Molweight | 370.799 |
| MonoisotopicMass | 370.094501 |
| CLogP | 4.1331 |
| CLogS | -4.842 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 283.94 |
| Relative PSA | 0.35081 |
| PolarSurfaceArea | 124.91 |
| Druglikeness | 2.1752 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 4-amino-N'-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1,2,5-oxadiazole-3-carboximidamide | 2 - 4-amino-N'-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
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