4-chloro-5-nitrobenzene-1,2-diamine
Formula:C6H6N3O2Cl
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
4-chloro-5-nitrobenzene-1,2-diamine is a drug-like molecule.
| MolName | 4-chloro-5-nitrobenzene-1,2-diamine |
| MolecularFormula | C6H6N3O2Cl |
| Smiles | Nc(c(N)c1)cc([N+]([O-])=O)c1Cl |
| InChI | InChI=1S/C6H6ClN3O2/c7-3-1-4(8)5(9)2-6(3)10(11)12/h1-2H,8-9H2 |
| InChIK | LOQLMWFVXRZASN-UHFFFAOYSA-N |
| TotalMolweight | 187.586 |
| Molweight | 187.586 |
| MonoisotopicMass | 187.014854 |
| CLogP | -0.0106 |
| CLogS | -2.964 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 129.39 |
| Relative PSA | 0.47113 |
| PolarSurfaceArea | 97.86 |
| Druglikeness | -7.0299 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; 1,2-diamino-aryl |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Amines | 2 |
| Aromatic Amines | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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