2-[(Z)-(3-nitro-4-pyrrolidin-1-ylphenyl)methylideneamino]guanidine
Formula:C12H16N6O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-(3-nitro-4-pyrrolidin-1-ylphenyl)methylideneamino]guanidine is a drug-like molecule.
| MolName | 2-[(Z)-(3-nitro-4-pyrrolidin-1-ylphenyl)methylideneamino]guanidine |
| MolecularFormula | C12H16N6O2 |
| Smiles | NC(N)=N/N=C\c(cc1)cc([N+]([O-])=O)c1N1CCCC1 |
| InChI | InChI=1S/C12H16N6O2/c13-12(14)16-15-8-9-3-4-10(11(7-9)18(19)20)17-5-1-2-6-17/h3-4,7-8H,1-2,5-6H2,(H4,13,14,16) |
| InChIK | MQRIMSVRPUJYGV-UHFFFAOYSA-N |
| TotalMolweight | 276.299 |
| Molweight | 276.299 |
| MonoisotopicMass | 276.133474 |
| CLogP | 0.8262 |
| CLogS | -4.172 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 213.54 |
| Relative PSA | 0.4099 |
| PolarSurfaceArea | 125.82 |
| Druglikeness | -1.4335 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| Amines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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