2-(5-aminotetrazol-2-yl)-N-[(Z)-[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide
Formula:C17H16N8O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(5-aminotetrazol-2-yl)-N-[(Z)-[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(5-aminotetrazol-2-yl)-N-[(Z)-[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide |
| MolecularFormula | C17H16N8O4 |
| Smiles | Nc1nn(CC(N/N=C\c(cccc2)c2OCc(cc2)ccc2[N+]([O-])=O)=O)nn1 |
| InChI | InChI=1S/C17H16N8O4/c18-17-21-23-24(22-17)10-16(26)20-19-9-13-3-1-2-4-15(13)29-11-12-5-7-14(8-6-12)25(27)28/h1-9H,10-11H2,(H2,18,22)(H,20,26) |
| InChIK | AXMILOXPNLMJGC-UHFFFAOYSA-N |
| TotalMolweight | 396.366 |
| Molweight | 396.366 |
| MonoisotopicMass | 396.129452 |
| CLogP | 0.9886 |
| CLogS | -3.792 |
| H Acceptors | 12 |
| H Donors | 2 |
| TotalSurfaceArea | 301.94 |
| Relative PSA | 0.43545 |
| PolarSurfaceArea | 166.13 |
| Druglikeness | -4.2983 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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