2-(5-aminotetrazol-1-yl)-N-[(Z)-(3-nitro-4-piperidin-1-ylphenyl)methylideneamino]acetamide
Formula:C15H19N9O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(5-aminotetrazol-1-yl)-N-[(Z)-(3-nitro-4-piperidin-1-ylphenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(5-aminotetrazol-1-yl)-N-[(Z)-(3-nitro-4-piperidin-1-ylphenyl)methylideneamino]acetamide |
| MolecularFormula | C15H19N9O3 |
| Smiles | Nc1nnnn1CC(N/N=C\c(cc1)cc([N+]([O-])=O)c1N1CCCCC1)=O |
| InChI | InChI=1S/C15H19N9O3/c16-15-19-20-21-23(15)10-14(25)18-17-9-11-4-5-12(13(8-11)24(26)27)22-6-2-1-3-7-22/h4-5,8-9H,1-3,6-7,10H2,(H,18,25)(H2,16,19,21) |
| InChIK | HQNAINUZYWQWDB-UHFFFAOYSA-N |
| TotalMolweight | 373.376 |
| Molweight | 373.376 |
| MonoisotopicMass | 373.161086 |
| CLogP | 0.0919 |
| CLogS | -4.318 |
| H Acceptors | 12 |
| H Donors | 2 |
| TotalSurfaceArea | 284.02 |
| Relative PSA | 0.44022 |
| PolarSurfaceArea | 160.14 |
| Druglikeness | -1.9975 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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