(E)-(4-chloro-3-nitrophenyl)methylidene-(diaminomethylideneamino)azanium
Formula:C8H9N5O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-(4-chloro-3-nitrophenyl)methylidene-(diaminomethylideneamino)azanium is a drug-like molecule.
| MolName | (E)-(4-chloro-3-nitrophenyl)methylidene-(diaminomethylideneamino)azanium |
| MolecularFormula | C8H9N5O2Cl |
| Smiles | NC(N)=N/[NH+]=C/c(cc1)cc([N+]([O-])=O)c1Cl |
| InChI | InChI=1S/C8H8ClN5O2/c9-6-2-1-5(3-7(6)14(15)16)4-12-13-8(10)11/h1-4H,(H4,10,11,13)/p+1 |
| InChIK | AVQVQPZTILIIJJ-UHFFFAOYSA-O |
| TotalMolweight | 242.645 |
| Molweight | 242.645 |
| MonoisotopicMass | 242.044477 |
| CLogP | 0.3247 |
| CLogS | -4.186 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 165.61 |
| Relative PSA | 0.43759 |
| PolarSurfaceArea | 124.19 |
| Druglikeness | -6.5432 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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