2-[(Z)-(3-nitro-4-piperidin-1-ylphenyl)methylideneamino]guanidine
Formula:C13H18N6O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-(3-nitro-4-piperidin-1-ylphenyl)methylideneamino]guanidine is a drug-like molecule.
| MolName | 2-[(Z)-(3-nitro-4-piperidin-1-ylphenyl)methylideneamino]guanidine |
| MolecularFormula | C13H18N6O2 |
| Smiles | NC(N)=N/N=C\c(cc1)cc([N+]([O-])=O)c1N1CCCCC1 |
| InChI | InChI=1S/C13H18N6O2/c14-13(15)17-16-9-10-4-5-11(12(8-10)19(20)21)18-6-2-1-3-7-18/h4-5,8-9H,1-3,6-7H2,(H4,14,15,17) |
| InChIK | COPIAPZSWRZRQE-UHFFFAOYSA-N |
| TotalMolweight | 290.326 |
| Molweight | 290.326 |
| MonoisotopicMass | 290.149124 |
| CLogP | 1.1682 |
| CLogS | -4.442 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 227.3 |
| Relative PSA | 0.38509 |
| PolarSurfaceArea | 125.82 |
| Druglikeness | -2.8535 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 3 |
| Amines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(Z)-(3-nitro-4-piperidin-1-ylphenyl)methylideneamino]guanidine | 2 - 2-[(Z)-(3-nitro-4-piperidin-1-ylphenyl)methylideneamino]guanidine
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