1-N-[(Z)-(2-chlorophenyl)methylideneamino]benzene-1,2,4-triamine
Formula:C13H13N4Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
1-N-[(Z)-(2-chlorophenyl)methylideneamino]benzene-1,2,4-triamine is a drug-like molecule.
| MolName | 1-N-[(Z)-(2-chlorophenyl)methylideneamino]benzene-1,2,4-triamine |
| MolecularFormula | C13H13N4Cl |
| Smiles | Nc(cc1)cc(N)c1N/N=C\c(cccc1)c1Cl |
| InChI | InChI=1S/C13H13ClN4/c14-11-4-2-1-3-9(11)8-17-18-13-6-5-10(15)7-12(13)16/h1-8,18H,15-16H2 |
| InChIK | FALPTIFNWHYJCG-UHFFFAOYSA-N |
| TotalMolweight | 260.727 |
| Molweight | 260.727 |
| MonoisotopicMass | 260.082873 |
| CLogP | 4.0923 |
| CLogS | -4.037 |
| H Acceptors | 4 |
| H Donors | 3 |
| TotalSurfaceArea | 201.7 |
| Relative PSA | 0.26529 |
| PolarSurfaceArea | 76.43 |
| Druglikeness | 2.2539 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | 1,2-diamino-aryl; 1,3-diamino-aryl; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Amines | 2 |
| Aromatic Amines | 2 |
| StereoCon |
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1 - 1-N-[(Z)-(2-chlorophenyl)methylideneamino]benzene-1,2,4-triamine | 2 - 1-N-[(Z)-(2-chlorophenyl)methylideneamino]benzene-1,2,4-triamine
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