2-[(E)-(4-nitrophenyl)methylideneamino]guanidine
Formula:C8H9N5O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-(4-nitrophenyl)methylideneamino]guanidine is a drug-like molecule.
| MolName | 2-[(E)-(4-nitrophenyl)methylideneamino]guanidine |
| MolecularFormula | C8H9N5O2 |
| Smiles | NC(N)=N/N=C/c(cc1)ccc1[N+]([O-])=O |
| InChI | InChI=1S/C8H9N5O2/c9-8(10)12-11-5-6-1-3-7(4-2-6)13(14)15/h1-5H,(H4,9,10,12) |
| InChIK | YQHGSFFPDDIVIK-UHFFFAOYSA-N |
| TotalMolweight | 207.192 |
| Molweight | 207.192 |
| MonoisotopicMass | 207.075625 |
| CLogP | 0.3352 |
| CLogS | -3.45 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 161.7 |
| Relative PSA | 0.51936 |
| PolarSurfaceArea | 122.58 |
| Druglikeness | -3.8616 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.73333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(E)-(4-nitrophenyl)methylideneamino]guanidine | 2 - 2-[(E)-(4-nitrophenyl)methylideneamino]guanidine
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