1-[(Z)-[5-nitro-2,4-di(piperidin-1-yl)phenyl]methylideneamino]tetrazol-5-amine
Formula:C18H25N9O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(Z)-[5-nitro-2,4-di(piperidin-1-yl)phenyl]methylideneamino]tetrazol-5-amine is not a drug-like molecule.
| MolName | 1-[(Z)-[5-nitro-2,4-di(piperidin-1-yl)phenyl]methylideneamino]tetrazol-5-amine |
| MolecularFormula | C18H25N9O2 |
| Smiles | Nc1nnnn1/N=C\c(c(N1CCCCC1)c1)cc([N+]([O-])=O)c1N1CCCCC1 |
| InChI | InChI=1S/C18H25N9O2/c19-18-21-22-23-26(18)20-13-14-11-17(27(28)29)16(25-9-5-2-6-10-25)12-15(14)24-7-3-1-4-8-24/h11-13H,1-10H2,(H2,19,21,23) |
| InChIK | LLCDWOPQLWUKFI-UHFFFAOYSA-N |
| TotalMolweight | 399.458 |
| Molweight | 399.458 |
| MonoisotopicMass | 399.213121 |
| CLogP | 1.9709 |
| CLogS | -6.231 |
| H Acceptors | 11 |
| H Donors | 1 |
| TotalSurfaceArea | 306.65 |
| Relative PSA | 0.33941 |
| PolarSurfaceArea | 134.28 |
| Druglikeness | -3.7216 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.44828 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 13 |
| Symmetricatoms | 4 |
| Amines | 2 |
| Aromatic Amines | 2 |
| Aromatic Nitrogens | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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