2-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1-nitroguanidine
Formula:C8H7N5O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1-nitroguanidine is a drug-like molecule.
| MolName | 2-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1-nitroguanidine |
| MolecularFormula | C8H7N5O2Cl2 |
| Smiles | N/C(/N[N+]([O-])=O)=N\N=C/c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C8H7Cl2N5O2/c9-6-2-1-5(7(10)3-6)4-12-13-8(11)14-15(16)17/h1-4H,(H3,11,13,14) |
| InChIK | OWODMAILXSDBNU-UHFFFAOYSA-N |
| TotalMolweight | 276.083 |
| Molweight | 276.083 |
| MonoisotopicMass | 274.997679 |
| CLogP | 1.8507 |
| CLogS | -5.271 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 195.48 |
| Relative PSA | 0.41012 |
| PolarSurfaceArea | 108.59 |
| Druglikeness | -0.795 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde; N-nitro |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1-nitroguanidine | 2 - 2-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1-nitroguanidine
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